(3S)-4,4-dimethyl-2-oxidanylidene-6-(phenylmethylsulfanyl)-1,3-dihydropyridine-3,5-dicarbonitrile

Systemtic Name: (3S)-4,4-dimethyl-2-oxidanylidene-6-(phenylmethylsulfanyl)-1,3-dihydropyridine-3,5-dicarbonitrile Openeye Name: (3S)-6-benzylsulfanyl-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile CAS Name: (3S)-4,4-dimethyl-2-oxo-6-(phenylmethylthio)-1,3-dihydropyridine-3,5-dicarbonitrile IUPAC Name: (3S)-6-benzylsulfanyl-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile Traditional Name: (3S)-6-(benzylthio)-2-keto-4,4-dimethyl-1,3-dihydropyridine-3,5-dicarbonitrile Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)NC(=C1C#N)SCC2=CC=CC=C2)C#N)C

Isomeric SMILES

CC1([C@H](C(=O)NC(=C1C#N)SCC2=CC=CC=C2)C#N)C

InChI

InChI=1S/C16H15N3OS/c1-16(2)12(8-17)14(20)19-15(13(16)9-18)21-10-11-6-4-3-5-7-11/h3-7,12H,10H2,1-2H3,(H,19,20)/t12-/m0/s1