(3R,4S)-5-cyano-4-(4-fluorophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydropyridin-2-olate

Systemtic Name: (3R,4S)-5-cyano-4-(4-fluorophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydropyridin-2-olate Openeye Name: (3R,4S)-5-cyano-4-(4-fluorophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydropyridin-2-olate CAS Name: (3R,4S)-5-cyano-4-(4-fluorophenyl)-6-mercapto-3-(1-pyridin-1-iumyl)-3,4-dihydropyridin-2-olate IUPAC Name: (3R,4S)-5-cyano-4-(4-fluorophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydropyridin-2-olate Traditional Name: (3R,4S)-5-cyano-4-(4-fluorophenyl)-6-mercapto-3-pyridin-1-ium-1-yl-3,4-dihydropyridin-2-olate Formula: C17H12FN3OS MolecularWeight: 325.360083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=[N+](C=C1)[C@@H]2[C@H](C(=C(N=C2[O-])S)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H12FN3OS/c18-12-6-4-11(5-7-12)14-13(10-19)17(23)20-16(22)15(14)21-8-2-1-3-9-21/h1-9,14-15H,(H-,20,22,23)/t14-,15+/m0/s1