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

Systemtic Name: 1-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

InChI

InChI=1S/C24H22N4OS/c1-5-10-27-16(3)12-18(17(27)4)22(29)14-30-23-11-15(2)19(13-25)24-26-20-8-6-7-9-21(20)28(23)24/h5-9,11-12H,1,10,14H2,2-4H3