4-oxidanylidene-2-phenyl-5-pyridin-1-ium-1-yl-6-sulfanyl-1H-pyridine-3-carbonitrile

Systemtic Name: 4-oxidanylidene-2-phenyl-5-pyridin-1-ium-1-yl-6-sulfanyl-1H-pyridine-3-carbonitrile Openeye Name: 4-oxo-2-phenyl-5-pyridin-1-ium-1-yl-6-sulfanyl-1H-pyridine-3-carbonitrile CAS Name: 6-mercapto-4-oxo-2-phenyl-5-(1-pyridin-1-iumyl)-1H-pyridine-3-carbonitrile IUPAC Name: 4-oxo-2-phenyl-5-pyridin-1-ium-1-yl-6-sulfanyl-1H-pyridine-3-carbonitrile Traditional Name: 4-keto-6-mercapto-2-phenyl-5-pyridin-1-ium-1-yl-1H-pyridine-3-carbonitrile Formula: C17H12N3OS+ MolecularWeight: 306.36168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)C(=C(N2)S)[N+]3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C(=C(N2)S)[N+]3=CC=CC=C3)C#N

InChI

InChI=1S/C17H11N3OS/c18-11-13-14(12-7-3-1-4-8-12)19-17(22)15(16(13)21)20-9-5-2-6-10-20/h1-10H,(H-,19,21,22)/p+1