N-(4-ethanoylphenyl)-2-[[4-phenyl-5-[[[3-(trifluoromethyl)phenyl]amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[[4-phenyl-5-[[[3-(trifluoromethyl)phenyl]amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[4-phenyl-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[4-phenyl-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[4-phenyl-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[4-phenyl-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H22F3N5O2S MolecularWeight: 525.54539

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C26H22F3N5O2S/c1-17(35)18-10-12-20(13-11-18)31-24(36)16-37-25-33-32-23(34(25)22-8-3-2-4-9-22)15-30-21-7-5-6-19(14-21)26(27,28)29/h2-14,30H,15-16H2,1H3,(H,31,36)