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

Systemtic Name: 2-methyl-4-oxidanylidene-1-phenyl-5-pyridin-1-ium-1-yl-6-sulfanyl-pyridine-3-carbonitrile Openeye Name: 2-methyl-4-oxo-1-phenyl-5-pyridin-1-ium-1-yl-6-sulfanyl-pyridine-3-carbonitrile CAS Name: 6-mercapto-2-methyl-4-oxo-1-phenyl-5-(1-pyridin-1-iumyl)-3-pyridinecarbonitrile IUPAC Name: 2-methyl-4-oxo-1-phenyl-5-pyridin-1-ium-1-yl-6-sulfanylpyridine-3-carbonitrile Traditional Name: 4-keto-6-mercapto-2-methyl-1-phenyl-5-pyridin-1-ium-1-yl-nicotinonitrile Formula: C18H14N3OS+ MolecularWeight: 320.38826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(N1C2=CC=CC=C2)S)[N+]3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=O)C(=C(N1C2=CC=CC=C2)S)[N+]3=CC=CC=C3)C#N

InChI

InChI=1S/C18H13N3OS/c1-13-15(12-19)17(22)16(20-10-6-3-7-11-20)18(23)21(13)14-8-4-2-5-9-14/h2-11H,1H3/p+1