6-(3-methylbutylsulfanyl)-4-(2-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 6-(3-methylbutylsulfanyl)-4-(2-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 6-isopentylsulfanyl-4-(o-tolyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 6-(3-methylbutylthio)-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 6-(3-methylbutylsulfanyl)-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 6-(isoamylthio)-2-keto-4-(o-tolyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCCC(C)C

InChI

InChI=1S/C18H22N2OS/c1-12(2)8-9-22-18-16(11-19)15(10-17(21)20-18)14-7-5-4-6-13(14)3/h4-7,12,15H,8-10H2,1-3H3,(H,20,21)