(3R,4S)-4-(2-nitrophenyl)-2-oxidanylidene-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: (3R,4S)-4-(2-nitrophenyl)-2-oxidanylidene-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (3R,4S)-4-(2-nitrophenyl)-2-oxo-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (3R,4S)-6-mercapto-4-(2-nitrophenyl)-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (3R,4S)-4-(2-nitrophenyl)-2-oxo-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (3R,4S)-2-keto-6-mercapto-4-(2-nitrophenyl)-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C17H13N4O3S+ MolecularWeight: 353.37512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2C(C(=C(NC2=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(NC2=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)/p+1/t14-,15+/m0/s1