3-[(4-methylphenyl)sulfanylmethyl]-1-oxidanylidene-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 3-[(4-methylphenyl)sulfanylmethyl]-1-oxidanylidene-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-oxo-3-(p-tolylsulfanylmethyl)-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-[[(4-methylphenyl)thio]methyl]-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-[(4-methylphenyl)sulfanylmethyl]-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-keto-3-[(p-tolylthio)methyl]-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C20H16N3OS+ MolecularWeight: 346.42554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)[N+]3=C4C=CC=CC4NC3=C2C#N

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)[N+]3=C4C=CC=CC4NC3=C2C#N

InChI

InChI=1S/C20H15N3OS/c1-13-6-8-15(9-7-13)25-12-14-10-19(24)23-18-5-3-2-4-17(18)22-20(23)16(14)11-21/h2-10,17H,12H2,1H3/p+1