N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(phenylmethylsulfanyl)benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(phenylmethylsulfanyl)benzamide Openeye Name: 2-benzylsulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(phenylmethylthio)benzamide IUPAC Name: 2-benzylsulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 2-(benzylthio)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3SCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-18-23(25(30)28(27(18)2)20-13-7-4-8-14-20)26-24(29)21-15-9-10-16-22(21)31-17-19-11-5-3-6-12-19/h3-16H,17H2,1-2H3,(H,26,29)