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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-3-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3S/c1-4-7-16-13-24(28-20-9-6-5-8-19(20)27-25(28)18(16)14-26)32-15-21(29)17-10-11-22(30-2)23(12-17)31-3/h5-6,8-13H,4,7,15H2,1-3H3