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

Systemtic Name: (3R,4S)-5-cyano-4-(2-nitrophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydropyridin-2-olate Openeye Name: (3R,4S)-5-cyano-4-(2-nitrophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydropyridin-2-olate CAS Name: (3R,4S)-5-cyano-6-mercapto-4-(2-nitrophenyl)-3-(1-pyridin-1-iumyl)-3,4-dihydropyridin-2-olate IUPAC Name: (3R,4S)-5-cyano-4-(2-nitrophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydropyridin-2-olate Traditional Name: (3R,4S)-5-cyano-6-mercapto-4-(2-nitrophenyl)-3-pyridin-1-ium-1-yl-3,4-dihydropyridin-2-olate Formula: C17H12N4O3S MolecularWeight: 352.36718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4O3S/c18-10-12-14(11-6-2-3-7-13(11)21(23)24)15(16(22)19-17(12)25)20-8-4-1-5-9-20/h1-9,14-15H,(H-,19,22,25)/t14-,15+/m0/s1