2-methyl-1-(2-methylphenyl)-4-oxidanylidene-5-pyridin-1-ium-1-yl-6-sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 2-methyl-1-(2-methylphenyl)-4-oxidanylidene-5-pyridin-1-ium-1-yl-6-sulfanyl-pyridine-3-carbonitrile Openeye Name: 2-methyl-1-(o-tolyl)-4-oxo-5-pyridin-1-ium-1-yl-6-sulfanyl-pyridine-3-carbonitrile CAS Name: 6-mercapto-2-methyl-1-(2-methylphenyl)-4-oxo-5-(1-pyridin-1-iumyl)-3-pyridinecarbonitrile IUPAC Name: 2-methyl-1-(2-methylphenyl)-4-oxo-5-pyridin-1-ium-1-yl-6-sulfanylpyridine-3-carbonitrile Traditional Name: 4-keto-6-mercapto-2-methyl-1-(o-tolyl)-5-pyridin-1-ium-1-yl-nicotinonitrile Formula: C19H16N3OS+ MolecularWeight: 334.41484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=O)C(=C2S)[N+]3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=O)C(=C2S)[N+]3=CC=CC=C3)C#N)C

InChI

InChI=1S/C19H15N3OS/c1-13-8-4-5-9-16(13)22-14(2)15(12-20)18(23)17(19(22)24)21-10-6-3-7-11-21/h3-11H,1-2H3/p+1