N-(2-tert-butylphenyl)-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-tert-butylphenyl)-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-tert-butylphenyl)-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-tert-butylphenyl)-2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2-tert-butylphenyl)-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-tert-butylphenyl)-2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]thio]acetamide Formula: C26H23F3N4O3S MolecularWeight: 528.54603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC3=C(N2C4=CC=CC(=C4)C(F)(F)F)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC3=C(N2C4=CC=CC(=C4)C(F)(F)F)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H23F3N4O3S/c1-25(2,3)19-9-4-5-10-20(19)30-23(34)15-37-24-31-21-14-18(33(35)36)11-12-22(21)32(24)17-8-6-7-16(13-17)26(27,28)29/h4-14H,15H2,1-3H3,(H,30,34)