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

Systemtic Name: (3S,4R)-5-cyano-4-(4-hydroxyphenyl)-3-pyridin-1-ium-1-yl-2-sulfanylidene-3,4-dihydro-1H-pyridine-6-thiolate Openeye Name: (3S,4R)-5-cyano-4-(4-hydroxyphenyl)-3-pyridin-1-ium-1-yl-2-thioxo-3,4-dihydro-1H-pyridine-6-thiolate CAS Name: (3S,4R)-5-cyano-4-(4-hydroxyphenyl)-3-(1-pyridin-1-iumyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-6-thiolate IUPAC Name: (3S,4R)-5-cyano-4-(4-hydroxyphenyl)-3-pyridin-1-ium-1-yl-2-sulfanylidene-3,4-dihydro-1H-pyridine-6-thiolate Traditional Name: (3S,4R)-5-cyano-4-(4-hydroxyphenyl)-3-pyridin-1-ium-1-yl-2-thioxo-3,4-dihydro-1H-pyridine-6-thiolate Formula: C17H13N3OS2 MolecularWeight: 339.43462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3OS2/c18-10-13-14(11-4-6-12(21)7-5-11)15(17(23)19-16(13)22)20-8-2-1-3-9-20/h1-9,14-15H,(H2-,19,21,22,23)/t14-,15+/m1/s1