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

Systemtic Name: (3S,4R)-5-cyano-4-(4-methoxyphenyl)-3-pyridin-1-ium-1-yl-2-sulfanylidene-3,4-dihydro-1H-pyridine-6-thiolate Openeye Name: (3S,4R)-5-cyano-4-(4-methoxyphenyl)-3-pyridin-1-ium-1-yl-2-thioxo-3,4-dihydro-1H-pyridine-6-thiolate CAS Name: (3S,4R)-5-cyano-4-(4-methoxyphenyl)-3-(1-pyridin-1-iumyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-6-thiolate IUPAC Name: (3S,4R)-5-cyano-4-(4-methoxyphenyl)-3-pyridin-1-ium-1-yl-2-sulfanylidene-3,4-dihydro-1H-pyridine-6-thiolate Traditional Name: (3S,4R)-5-cyano-4-(4-methoxyphenyl)-3-pyridin-1-ium-1-yl-2-thioxo-3,4-dihydro-1H-pyridine-6-thiolate Formula: C18H15N3OS2 MolecularWeight: 353.4612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=S)NC(=C2C#N)[S-])[N+]3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@@H](C(=S)NC(=C2C#N)[S-])[N+]3=CC=CC=C3

InChI

InChI=1S/C18H15N3OS2/c1-22-13-7-5-12(6-8-13)15-14(11-19)17(23)20-18(24)16(15)21-9-3-2-4-10-21/h2-10,15-16H,1H3,(H-,20,23,24)/t15-,16+/m1/s1