5-cyano-2-cyclopropyl-3-(3-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-2-oxidanyl-3,4-dihydro-1H-pyridine-6-thiolate

Systemtic Name: 5-cyano-2-cyclopropyl-3-(3-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-2-oxidanyl-3,4-dihydro-1H-pyridine-6-thiolate Openeye Name: 5-cyano-2-cyclopropyl-2-hydroxy-3-(3-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridine-6-thiolate CAS Name: 5-cyano-2-cyclopropyl-2-hydroxy-3-(3-methyl-1-pyridin-1-iumyl)-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridine-6-thiolate IUPAC Name: 5-cyano-2-cyclopropyl-2-hydroxy-3-(3-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridine-6-thiolate Traditional Name: 5-cyano-2-cyclopropyl-2-hydroxy-3-(3-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridine-6-thiolate Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2C(C(=C(NC2(C3CC3)O)[S-])C#N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C2C(C(=C(NC2(C3CC3)O)[S-])C#N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3S/c1-13-3-2-10-24(12-13)19-18(14-4-8-16(9-5-14)25(27)28)17(11-22)20(29)23-21(19,26)15-6-7-15/h2-5,8-10,12,15,18-19,23,26H,6-7H2,1H3