2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]methyl]benzonitrile IUPAC Name: 2-[[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]methyl]benzonitrile Formula: C22H16N4O3S MolecularWeight: 416.45244

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=C2SCC4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=CC=CC=C4C#N

InChI

InChI=1S/C22H16N4O3S/c1-29-21-9-5-4-8-20(21)25-19-11-10-17(26(27)28)12-18(19)24-22(25)30-14-16-7-3-2-6-15(16)13-23/h2-12H,14H2,1H3