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

Systemtic Name: 4-[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylacetyl]benzonitrile CAS Name: 4-[2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetyl]benzonitrile Traditional Name: 4-[2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetyl]benzonitrile Formula: C23H16N4O4S MolecularWeight: 444.46254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H16N4O4S/c1-31-22-5-3-2-4-20(22)26-19-11-10-17(27(29)30)12-18(19)25-23(26)32-14-21(28)16-8-6-15(13-24)7-9-16/h2-12H,14H2,1H3