1-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H15N3O3S MolecularWeight: 401.4378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15N3O3S/c1-13-8-21(25-17-5-3-2-4-16(17)24-22(25)15(13)10-23)29-11-18(26)14-6-7-19-20(9-14)28-12-27-19/h2-9H,11-12H2,1H3