3-(3-azanylpyridin-1-ium-1-yl)-5-cyano-2-oxidanyl-2,4-diphenyl-3,4-dihydro-1H-pyridine-6-thiolate

Systemtic Name: 3-(3-azanylpyridin-1-ium-1-yl)-5-cyano-2-oxidanyl-2,4-diphenyl-3,4-dihydro-1H-pyridine-6-thiolate Openeye Name: 3-(3-aminopyridin-1-ium-1-yl)-5-cyano-2-hydroxy-2,4-diphenyl-3,4-dihydro-1H-pyridine-6-thiolate CAS Name: 3-(3-amino-1-pyridin-1-iumyl)-5-cyano-2-hydroxy-2,4-diphenyl-3,4-dihydro-1H-pyridine-6-thiolate IUPAC Name: 3-(3-aminopyridin-1-ium-1-yl)-5-cyano-2-hydroxy-2,4-diphenyl-3,4-dihydro-1H-pyridine-6-thiolate Traditional Name: 3-(3-aminopyridin-1-ium-1-yl)-5-cyano-2-hydroxy-2,4-diphenyl-3,4-dihydro-1H-pyridine-6-thiolate Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(NC(=C2C#N)[S-])(C3=CC=CC=C3)O)[N+]4=CC=CC(=C4)N

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(NC(=C2C#N)[S-])(C3=CC=CC=C3)O)[N+]4=CC=CC(=C4)N

InChI

InChI=1S/C23H20N4OS/c24-14-19-20(16-8-3-1-4-9-16)21(27-13-7-12-18(25)15-27)23(28,26-22(19)29)17-10-5-2-6-11-17/h1-13,15,20-21,26,28H,25H2