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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(phenylsulfanylmethyl)benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(phenylsulfanylmethyl)benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-[(phenylthio)methyl]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(phenylsulfanylmethyl)benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-[(phenylthio)methyl]benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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