(4S)-5-ethanoyl-6-methyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4S)-5-ethanoyl-6-methyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-acetyl-6-methyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-acetyl-6-methyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-(3-pyridinyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-acetyl-6-methyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-acetyl-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-6-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carbonitrile Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C#N)C3=CN=CC=C3)C(=O)C

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C#N)C3=CN=CC=C3)C(=O)C

InChI

InChI=1S/C22H18N4O4S/c1-13-20(14(2)27)21(16-4-3-9-24-11-16)18(10-23)22(25-13)31-12-19(28)15-5-7-17(8-6-15)26(29)30/h3-9,11,21,25H,12H2,1-2H3/t21-/m1/s1