3-[(4-methylphenyl)sulfanylmethyl]-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-[(4-methylphenyl)sulfanylmethyl]-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-oxo-3-(p-tolylsulfanylmethyl)-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-[[(4-methylphenyl)thio]methyl]-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile IUPAC Name: 3-[(4-methylphenyl)sulfanylmethyl]-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-keto-3-[(p-tolylthio)methyl]-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C20H15N3OS MolecularWeight: 345.4176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N3C4=CC=CC=C4NC3=C2C#N

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N3C4=CC=CC=C4NC3=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/h2-10,22H,12H2,1H3