4-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]methyl]benzonitrile IUPAC Name: 4-[[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]methyl]benzonitrile Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=CC=C(C=C4)C#N

InChI

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