(4S)-5-cyano-2-methyl-4-(3-nitrophenyl)-3-(phenylcarbamoyl)-3,4-dihydropyridine-6-thiolate

Systemtic Name: (4S)-5-cyano-2-methyl-4-(3-nitrophenyl)-3-(phenylcarbamoyl)-3,4-dihydropyridine-6-thiolate Openeye Name: (4S)-5-cyano-2-methyl-4-(3-nitrophenyl)-3-(phenylcarbamoyl)-3,4-dihydropyridine-6-thiolate CAS Name: (4S)-3-[anilino(oxo)methyl]-5-cyano-2-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-6-thiolate IUPAC Name: (4S)-5-cyano-2-methyl-4-(3-nitrophenyl)-3-(phenylcarbamoyl)-3,4-dihydropyridine-6-thiolate Traditional Name: (4S)-5-cyano-2-methyl-4-(3-nitrophenyl)-3-(phenylcarbamoyl)-3,4-dihydropyridine-6-thiolate Formula: C20H15N4O3S- MolecularWeight: 391.4231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C#N)[S-]

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C#N)[S-]

InChI

InChI=1S/C20H16N4O3S/c1-12-17(19(25)23-14-7-3-2-4-8-14)18(16(11-21)20(28)22-12)13-6-5-9-15(10-13)24(26)27/h2-10,17-18,28H,1H3,(H,23,25)/p-1/t17?,18-/m0/s1