1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[(1,3-dioxo-2-isoindolyl)methylthio]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-1-(phthalimidomethylthio)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H14N4O2S MolecularWeight: 398.43716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCN4C(=O)C5=CC=CC=C5C4=O)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCN4C(=O)C5=CC=CC=C5C4=O)C#N

InChI

InChI=1S/C22H14N4O2S/c1-13-10-19(26-18-9-5-4-8-17(18)24-20(26)16(13)11-23)29-12-25-21(27)14-6-2-3-7-15(14)22(25)28/h2-10H,12H2,1H3