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CHEBI:112799 - N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

ChEBI IDCHEBI:112799
ChEBI NameN-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
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DownloadsMolfile
FormulaC21H19N3O3S
Net Charge0
Average Mass393.468
Monoisotopic Mass393.11471
SMILESCc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)CSC3)c(C)c1
InChIInChI=1S/C21H19N3O3S/c1-12-3-5-17(13(2)7-12)24-20(15-9-28-10-16(15)23-24)22-21(25)14-4-6-18-19(8-14)27-11-26-18/h3-8H,9-11H2,1-2H3,(H,22,25)
InChIKeyBCHAKAQIAKWFAO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:112799) is a pyrazoles (CHEBI:26410)
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:112799) is a ring assembly (CHEBI:36820)
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