2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylcarbonyl)-4-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylcarbonyl)-4-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-4-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-3-oxo-butanenitrile CAS Name: 2-[1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(oxo)methyl]-4-[(4-methoxy-3-nitrophenyl)methylthio]-3-oxobutanenitrile IUPAC Name: 2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-4-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-3-oxobutanenitrile Traditional Name: 2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-keto-4-[(4-methoxy-3-nitro-benzyl)thio]butyronitrile Formula: C22H19N5O5S MolecularWeight: 465.48176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)C(C#N)C(=O)N2CCN3C2=NC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)C(C#N)C(=O)N2CCN3C2=NC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O5S/c1-32-20-7-6-14(10-18(20)27(30)31)12-33-13-19(28)15(11-23)21(29)26-9-8-25-17-5-3-2-4-16(17)24-22(25)26/h2-7,10,15H,8-9,12-13H2,1H3