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CHEBI:194224 - 3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2,3-dimethylphenyl)benzamide

ChEBI IDCHEBI:194224
ChEBI Name3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2,3-dimethylphenyl)benzamide
Stars
ASCII Name3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2,3-dimethylphenyl)benzamide
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of 3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoic acid with the amino group of 2,3-dimethylaniline.
Last Modified19 January 2023
Submitterfmkhan
DownloadsMolfile
FormulaC24H26N6OS2
Net Charge0
Average Mass478.647
Monoisotopic Mass478.16095
SMILESCCn1c(Cc2csc(N)n2)nnc1SCc1cccc(C(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C24H26N6OS2/c1-4-30-21(12-19-14-32-23(25)26-19)28-29-24(30)33-13-17-8-6-9-18(11-17)22(31)27-20-10-5-7-15(2)16(20)3/h5-11,14H,4,12-13H2,1-3H3,(H2,25,26)(H,27,31)
InChIKeyANCVUMFDXBJEQF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2,3-dimethylphenyl)benzamide (CHEBI:194224) is a 1,3-thiazoles (CHEBI:38418)
3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2,3-dimethylphenyl)benzamide (CHEBI:194224) is a benzamides (CHEBI:22702)
3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2,3-dimethylphenyl)benzamide (CHEBI:194224) is a benzenes (CHEBI:22712)
3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2,3-dimethylphenyl)benzamide (CHEBI:194224) is a organic sulfide (CHEBI:16385)
3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2,3-dimethylphenyl)benzamide (CHEBI:194224) is a primary amino compound (CHEBI:50994)
3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2,3-dimethylphenyl)benzamide (CHEBI:194224) is a secondary carboxamide (CHEBI:140325)
3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2,3-dimethylphenyl)benzamide (CHEBI:194224) is a triazoles (CHEBI:35727)
IUPAC Name 
3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2,3-dimethylphenyl)benzamide