2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-6-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-6-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-6-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[[2-keto-2-(p-tolyl)ethyl]thio]-6-phenyl-pyridin-1-ium-3-carbonitrile Formula: C21H17N2OS+ MolecularWeight: 345.43748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=C(C=CC(=[NH+]2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=C(C=CC(=[NH+]2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H16N2OS/c1-15-7-9-17(10-8-15)20(24)14-25-21-18(13-22)11-12-19(23-21)16-5-3-2-4-6-16/h2-12H,14H2,1H3/p+1