(3R,4S)-5-cyano-3-(3-methylpyridin-1-ium-1-yl)-4-(2-nitrophenyl)-6-sulfanyl-3,4-dihydropyridin-2-olate

Systemtic Name: (3R,4S)-5-cyano-3-(3-methylpyridin-1-ium-1-yl)-4-(2-nitrophenyl)-6-sulfanyl-3,4-dihydropyridin-2-olate Openeye Name: (3R,4S)-5-cyano-3-(3-methylpyridin-1-ium-1-yl)-4-(2-nitrophenyl)-6-sulfanyl-3,4-dihydropyridin-2-olate CAS Name: (3R,4S)-5-cyano-6-mercapto-3-(3-methyl-1-pyridin-1-iumyl)-4-(2-nitrophenyl)-3,4-dihydropyridin-2-olate IUPAC Name: (3R,4S)-5-cyano-3-(3-methylpyridin-1-ium-1-yl)-4-(2-nitrophenyl)-6-sulfanyl-3,4-dihydropyridin-2-olate Traditional Name: (3R,4S)-5-cyano-6-mercapto-3-(3-methylpyridin-1-ium-1-yl)-4-(2-nitrophenyl)-3,4-dihydropyridin-2-olate Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2C(C(=C(N=C2[O-])S)C#N)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@@H]2[C@H](C(=C(N=C2[O-])S)C#N)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O3S/c1-11-5-4-8-21(10-11)16-15(13(9-19)18(26)20-17(16)23)12-6-2-3-7-14(12)22(24)25/h2-8,10,15-16H,1H3,(H-,20,23,26)/t15-,16+/m0/s1