N-(3-cyanothiophen-2-yl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetamide Formula: C21H15N5O4S2 MolecularWeight: 465.5049

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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)NC4=C(C=CS4)C#N

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C21H15N5O4S2/c1-30-18-5-3-2-4-17(18)25-16-7-6-14(26(28)29)10-15(16)23-21(25)32-12-19(27)24-20-13(11-22)8-9-31-20/h2-10H,12H2,1H3,(H,24,27)