1-(4-nitro-1H-pyrrol-2-yl)-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-nitro-1H-pyrrol-2-yl)-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(4-nitro-1H-pyrrol-2-yl)ethanone CAS Name: 1-(4-nitro-1H-pyrrol-2-yl)-2-[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(4-nitro-1H-pyrrol-2-yl)ethanone Traditional Name: 2-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]-1-(4-nitro-1H-pyrrol-2-yl)ethanone Formula: C21H15F3N4O3S MolecularWeight: 460.42901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2SCC(=O)C4=CC(=CN4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2SCC(=O)C4=CC(=CN4)[N+](=O)[O-]

InChI

InChI=1S/C21H15F3N4O3S/c22-21(23,24)14-6-7-18-16(8-14)26-20(27(18)11-13-4-2-1-3-5-13)32-12-19(29)17-9-15(10-25-17)28(30)31/h1-10,25H,11-12H2