(3S)-4,4-dimethyl-6-[(3-nitrophenyl)methylsulfanyl]-2-oxidanylidene-1,3-dihydropyridine-3,5-dicarbonitrile

Systemtic Name: (3S)-4,4-dimethyl-6-[(3-nitrophenyl)methylsulfanyl]-2-oxidanylidene-1,3-dihydropyridine-3,5-dicarbonitrile Openeye Name: (3S)-4,4-dimethyl-6-[(3-nitrophenyl)methylsulfanyl]-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile CAS Name: (3S)-4,4-dimethyl-6-[(3-nitrophenyl)methylthio]-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile IUPAC Name: (3S)-4,4-dimethyl-6-[(3-nitrophenyl)methylsulfanyl]-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile Traditional Name: (3S)-2-keto-4,4-dimethyl-6-[(3-nitrobenzyl)thio]-1,3-dihydropyridine-3,5-dicarbonitrile Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)NC(=C1C#N)SCC2=CC(=CC=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3S/c1-16(2)12(7-17)14(21)19-15(13(16)8-18)24-9-10-4-3-5-11(6-10)20(22)23/h3-6,12H,9H2,1-2H3,(H,19,21)/t12-/m0/s1