1-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(1,3-benzodioxol-5-ylmethylthio)-3-ethyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-ethylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-ethyl-1-(piperonylthio)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C22H17N3O2S/c1-2-15-10-21(28-12-14-7-8-19-20(9-14)27-13-26-19)25-18-6-4-3-5-17(18)24-22(25)16(15)11-23/h3-10H,2,12-13H2,1H3