2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]-2-benzimidazolyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]thio]-1-pyrrolidino-ethanone Formula: C20H17F3N4O3S MolecularWeight: 450.43419

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(N2C4=CC=CC(=C4)C(F)(F)F)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(N2C4=CC=CC(=C4)C(F)(F)F)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17F3N4O3S/c21-20(22,23)13-4-3-5-14(10-13)26-17-7-6-15(27(29)30)11-16(17)24-19(26)31-12-18(28)25-8-1-2-9-25/h3-7,10-11H,1-2,8-9,12H2