(3S,4R)-4-(2-methylphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile

Systemtic Name: (3S,4R)-4-(2-methylphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile Openeye Name: (3S,4R)-6-benzylsulfanyl-4-(o-tolyl)-2-oxo-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile CAS Name: (3S,4R)-4-(2-methylphenyl)-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile IUPAC Name: (3S,4R)-6-benzylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile Traditional Name: (3S,4R)-6-(benzylthio)-2-keto-4-(o-tolyl)-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile Formula: C21H17N3OS MolecularWeight: 359.44418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1[C@H]2[C@H](C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H17N3OS/c1-14-7-5-6-10-16(14)19-17(11-22)20(25)24-21(18(19)12-23)26-13-15-8-3-2-4-9-15/h2-10,17,19H,13H2,1H3,(H,24,25)/t17-,19+/m1/s1