1-[2-(2-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[2-(2-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[2-(2-ethoxyphenyl)-2-oxo-ethyl]sulfanyl-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[[2-(2-ethoxyphenyl)-2-oxoethyl]thio]-3-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[2-(2-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[(2-keto-2-o-phenetyl-ethyl)thio]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)C4=CC=CC=C4OCC)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)C4=CC=CC=C4OCC)C#N

InChI

InChI=1S/C25H23N3O2S/c1-3-9-17-14-24(31-16-22(29)18-10-5-8-13-23(18)30-4-2)28-21-12-7-6-11-20(21)27-25(28)19(17)15-26/h5-8,10-14H,3-4,9,16H2,1-2H3