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

Systemtic Name: 3-methyl-1-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

InChI

InChI=1S/C22H20N4OS/c1-13-9-21(28-12-20(27)16-10-14(2)25(4)15(16)3)26-19-8-6-5-7-18(19)24-22(26)17(13)11-23/h5-10H,12H2,1-4H3