2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C22H19FN4O3S MolecularWeight: 438.474663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19FN4O3S/c1-13-10-18(14(2)25(13)3)21(28)12-31-22-24-19-11-17(27(29)30)8-9-20(19)26(22)16-6-4-15(23)5-7-16/h4-11H,12H2,1-3H3