2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-acetamide CAS Name: 2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]-2-benzimidazolyl]thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]thio]-N-p-cumenyl-acetamide Formula: C25H21F3N4O3S MolecularWeight: 514.51945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21F3N4O3S/c1-15(2)16-6-8-18(9-7-16)29-23(33)14-36-24-30-21-13-20(32(34)35)10-11-22(21)31(24)19-5-3-4-17(12-19)25(26,27)28/h3-13,15H,14H2,1-2H3,(H,29,33)