3-[(4-chlorophenyl)sulfanylmethyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzamide IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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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=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN3O2S/c1-17-23(25(31)29(28(17)2)21-9-4-3-5-10-21)27-24(30)19-8-6-7-18(15-19)16-32-22-13-11-20(26)12-14-22/h3-15H,16H2,1-2H3,(H,27,30)