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CHEBI:117059 - 2-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-(3-thiophenyl)methyl]propanedinitrile

ChEBI IDCHEBI:117059
ChEBI Name2-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-(3-thiophenyl)methyl]propanedinitrile
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DownloadsMolfile
FormulaC17H12N4OS
Net Charge0
Average Mass320.377
Monoisotopic Mass320.07318
SMILESN#CC(C#N)C(c1ccsc1)c1c(-c2ccccc2)nnc1=O
InChIInChI=1S/C17H12N4OS/c18-8-13(9-19)14(12-6-7-23-10-12)15-16(20-21-17(15)22)11-4-2-1-3-5-11/h1-7,10,13-14H,(H2,20,21,22)
InChIKeyVXSSLOQWIIHATK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-(3-thiophenyl)methyl]propanedinitrile (CHEBI:117059) is a pyrazoles (CHEBI:26410)
2-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-(3-thiophenyl)methyl]propanedinitrile (CHEBI:117059) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-28506LINCS