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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(1,3-benzodioxol-5-ylmethylthio)-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-1-(piperonylthio)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H15N3O2S MolecularWeight: 373.4277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C21H15N3O2S/c1-13-8-20(27-11-14-6-7-18-19(9-14)26-12-25-18)24-17-5-3-2-4-16(17)23-21(24)15(13)10-22/h2-9H,11-12H2,1H3