3-ethyl-1-[2-(3-methylphenoxy)ethylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-ethyl-1-[2-(3-methylphenoxy)ethylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-ethyl-1-[2-(3-methylphenoxy)ethylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-ethyl-1-[2-(3-methylphenoxy)ethylthio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-ethyl-1-[2-(3-methylphenoxy)ethylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-ethyl-1-[2-(3-methylphenoxy)ethylthio]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCCOC4=CC=CC(=C4)C)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCCOC4=CC=CC(=C4)C)C#N

InChI

InChI=1S/C23H21N3OS/c1-3-17-14-22(28-12-11-27-18-8-6-7-16(2)13-18)26-21-10-5-4-9-20(21)25-23(26)19(17)15-24/h4-10,13-14H,3,11-12H2,1-2H3