4-oxidanylidene-1,2-diphenyl-5-pyridin-1-ium-1-yl-6-sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4-oxidanylidene-1,2-diphenyl-5-pyridin-1-ium-1-yl-6-sulfanyl-pyridine-3-carbonitrile Openeye Name: 4-oxo-1,2-diphenyl-5-pyridin-1-ium-1-yl-6-sulfanyl-pyridine-3-carbonitrile CAS Name: 6-mercapto-4-oxo-1,2-diphenyl-5-(1-pyridin-1-iumyl)-3-pyridinecarbonitrile IUPAC Name: 4-oxo-1,2-diphenyl-5-pyridin-1-ium-1-yl-6-sulfanylpyridine-3-carbonitrile Traditional Name: 4-keto-6-mercapto-1,2-diphenyl-5-pyridin-1-ium-1-yl-nicotinonitrile Formula: C23H16N3OS+ MolecularWeight: 382.45764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)C(=C(N2C3=CC=CC=C3)S)[N+]4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C(=C(N2C3=CC=CC=C3)S)[N+]4=CC=CC=C4)C#N

InChI

InChI=1S/C23H15N3OS/c24-16-19-20(17-10-4-1-5-11-17)26(18-12-6-2-7-13-18)23(28)21(22(19)27)25-14-8-3-9-15-25/h1-15H/p+1