N-(3-methylphenyl)-4-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-butanamide

Systemtic Name: N-(3-methylphenyl)-4-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-butanamide Openeye Name: N-(m-tolyl)-4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-butanamide CAS Name: N-(3-methylphenyl)-4-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]butanamide IUPAC Name: N-(3-methylphenyl)-4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylbutanamide Traditional Name: 4-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]-N-(m-tolyl)butyramide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-17-7-5-10-19(15-17)23-21(26)11-6-14-28-16-22(27)25-13-12-20(24-25)18-8-3-2-4-9-18/h2-5,7-10,15H,6,11-14,16H2,1H3,(H,23,26)