2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]butyronitrile Formula: C25H18N6O4S MolecularWeight: 498.51322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C25H18N6O4S/c1-35-23-9-5-4-8-21(23)30-20-11-10-15(31(33)34)12-19(20)29-25(30)36-14-22(32)16(13-26)24-27-17-6-2-3-7-18(17)28-24/h2-12,27-28H,14H2,1H3