1-(cyclohexylmethylsulfanyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-(cyclohexylmethylsulfanyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(cyclohexylmethylsulfanyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(cyclohexylmethylthio)-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(cyclohexylmethylsulfanyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(cyclohexylmethylthio)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C20H21N3S MolecularWeight: 335.46584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4CCCCC4)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4CCCCC4)C#N

InChI

InChI=1S/C20H21N3S/c1-14-11-19(24-13-15-7-3-2-4-8-15)23-18-10-6-5-9-17(18)22-20(23)16(14)12-21/h5-6,9-11,15H,2-4,7-8,13H2,1H3