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

Systemtic Name: 3-ethyl-1-[2-(4-methylphenoxy)ethylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-ethyl-1-[2-(4-methylphenoxy)ethylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-ethyl-1-[2-(4-methylphenoxy)ethylthio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-ethyl-1-[2-(4-methylphenoxy)ethylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-ethyl-1-[2-(4-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=C(C=C4)C)C#N

Isomeric SMILES

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

InChI

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