5-cyano-3-pyridin-1-ium-1-yl-4-pyridin-4-yl-6-sulfanyl-3,4-dihydropyridin-2-olate; methanol

Systemtic Name: 5-cyano-3-pyridin-1-ium-1-yl-4-pyridin-4-yl-6-sulfanyl-3,4-dihydropyridin-2-olate; methanol Openeye Name: 5-cyano-3-pyridin-1-ium-1-yl-4-(4-pyridyl)-6-sulfanyl-3,4-dihydropyridin-2-olate; methanol CAS Name: 5-cyano-6-mercapto-3-(1-pyridin-1-iumyl)-4-pyridin-4-yl-3,4-dihydropyridin-2-olate; methanol IUPAC Name: 5-cyano-3-pyridin-1-ium-1-yl-4-pyridin-4-yl-6-sulfanyl-3,4-dihydropyridin-2-olate; methanol Traditional Name: 5-cyano-6-mercapto-3-pyridin-1-ium-1-yl-4-(4-pyridyl)-3,4-dihydropyridin-2-olate; methanol Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CO.C1=CC=[N+](C=C1)C2C(C(=C(N=C2[O-])S)C#N)C3=CC=NC=C3

Isomeric SMILES

CO.C1=CC=[N+](C=C1)C2C(C(=C(N=C2[O-])S)C#N)C3=CC=NC=C3

InChI

InChI=1S/C16H12N4OS.CH4O/c17-10-12-13(11-4-6-18-7-5-11)14(15(21)19-16(12)22)20-8-2-1-3-9-20;1-2/h1-9,13-14H,(H-,19,21,22);2H,1H3