3-methyl-1-phenethylsulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-phenethylsulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-phenethylsulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-(phenethylthio)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-phenethylsulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-1-(phenethylthio)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H17N3S MolecularWeight: 343.44478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H17N3S/c1-15-13-20(25-12-11-16-7-3-2-4-8-16)24-19-10-6-5-9-18(19)23-21(24)17(15)14-22/h2-10,13H,11-12H2,1H3