2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C20H16N4O4S MolecularWeight: 408.43044

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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=CN4

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)C4=CC=CN4

InChI

InChI=1S/C20H16N4O4S/c1-28-19-7-3-2-6-17(19)23-16-9-8-13(24(26)27)11-15(16)22-20(23)29-12-18(25)14-5-4-10-21-14/h2-11,21H,12H2,1H3