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

Systemtic Name: (3R,4S)-2-oxidanylidene-3-pyridin-1-ium-1-yl-4-pyridin-3-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (3R,4S)-2-oxo-3-pyridin-1-ium-1-yl-4-(3-pyridyl)-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (3R,4S)-6-mercapto-2-oxo-3-(1-pyridin-1-iumyl)-4-(3-pyridinyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (3R,4S)-2-oxo-3-pyridin-1-ium-1-yl-4-pyridin-3-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (3R,4S)-2-keto-6-mercapto-3-pyridin-1-ium-1-yl-4-(3-pyridyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C16H13N4OS+ MolecularWeight: 309.36562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2C(C(=C(NC2=O)S)C#N)C3=CN=CC=C3

Isomeric SMILES

C1=CC=[N+](C=C1)[C@@H]2[C@H](C(=C(NC2=O)S)C#N)C3=CN=CC=C3

InChI

InChI=1S/C16H12N4OS/c17-9-12-13(11-5-4-6-18-10-11)14(15(21)19-16(12)22)20-7-2-1-3-8-20/h1-8,10,13-14H,(H-,19,21,22)/p+1/t13-,14+/m0/s1