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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

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