(3R,4S)-5-cyano-3-pyridin-1-ium-1-yl-4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyridine-6-thiolate

Systemtic Name: (3R,4S)-5-cyano-3-pyridin-1-ium-1-yl-4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyridine-6-thiolate Openeye Name: (3R,4S)-5-cyano-3-pyridin-1-ium-1-yl-4-(3-pyridyl)-2-thioxo-3,4-dihydro-1H-pyridine-6-thiolate CAS Name: (3R,4S)-5-cyano-3-(1-pyridin-1-iumyl)-4-(3-pyridinyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-6-thiolate IUPAC Name: (3R,4S)-5-cyano-3-pyridin-1-ium-1-yl-4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyridine-6-thiolate Traditional Name: (3R,4S)-5-cyano-3-pyridin-1-ium-1-yl-4-(3-pyridyl)-2-thioxo-3,4-dihydro-1H-pyridine-6-thiolate Formula: C16H12N4S2 MolecularWeight: 324.42328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4S2/c17-9-12-13(11-5-4-6-18-10-11)14(16(22)19-15(12)21)20-7-2-1-3-8-20/h1-8,10,13-14H,(H-,19,21,22)/t13-,14+/m0/s1