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

Systemtic Name: 5-cyano-4-phenyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydropyridin-2-olate Openeye Name: 5-cyano-4-phenyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydropyridin-2-olate CAS Name: 5-cyano-6-mercapto-4-phenyl-3-(1-pyridin-1-iumyl)-3,4-dihydropyridin-2-olate IUPAC Name: 5-cyano-4-phenyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydropyridin-2-olate Traditional Name: 5-cyano-6-mercapto-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridin-2-olate Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3OS/c18-11-13-14(12-7-3-1-4-8-12)15(16(21)19-17(13)22)20-9-5-2-6-10-20/h1-10,14-15H,(H-,19,21,22)