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

Systemtic Name: 3-(3-azanylpyridin-1-ium-1-yl)-2-oxidanyl-2,4-diphenyl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 3-(3-aminopyridin-1-ium-1-yl)-2-hydroxy-2,4-diphenyl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 3-(3-amino-1-pyridin-1-iumyl)-2-hydroxy-6-mercapto-2,4-diphenyl-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 3-(3-aminopyridin-1-ium-1-yl)-2-hydroxy-2,4-diphenyl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 3-(3-aminopyridin-1-ium-1-yl)-2-hydroxy-6-mercapto-2,4-diphenyl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C23H21N4OS+ MolecularWeight: 401.50404

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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/p+1