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

Systemtic Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]-1-pyrrolidino-ethanone Formula: C20H20N4O4S MolecularWeight: 412.4622

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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)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)N4CCCC4

InChI

InChI=1S/C20H20N4O4S/c1-28-18-7-3-2-6-17(18)23-16-9-8-14(24(26)27)12-15(16)21-20(23)29-13-19(25)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11,13H2,1H3