3-ethyl-1-[(3-methylphenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-ethyl-1-[(3-methylphenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-ethyl-1-(m-tolylmethylsulfanyl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-ethyl-1-[(3-methylphenyl)methylthio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-ethyl-1-[(3-methylphenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-ethyl-1-[(3-methylbenzyl)thio]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H19N3S MolecularWeight: 357.47136

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC=CC(=C4)C)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC=CC(=C4)C)C#N

InChI

InChI=1S/C22H19N3S/c1-3-17-12-21(26-14-16-8-6-7-15(2)11-16)25-20-10-5-4-9-19(20)24-22(25)18(17)13-23/h4-12H,3,14H2,1-2H3