N-[3-[3-butyl-4-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluoranyl-phenyl]methyl]-5-oxidanylidene-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]propanamide

Systemtic Name: N-[3-[3-butyl-4-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluoranyl-phenyl]methyl]-5-oxidanylidene-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]propanamide Openeye Name: N-[3-[3-butyl-4-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluoro-phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]propanamide CAS Name: N-[3-[3-butyl-4-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]propanamide IUPAC Name: N-[3-[3-butyl-4-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]propanamide Traditional Name: N-[3-[3-butyl-4-[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluoro-benzyl]-5-keto-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]propionamide Formula: C33H37F4N5O4S MolecularWeight: 675.736593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(C)(C)C)F)C4=C(C=CC(=C4)NC(=O)CC)C(F)(F)F

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(C)(C)C)F)C4=C(C=CC(=C4)NC(=O)CC)C(F)(F)F

InChI

InChI=1S/C33H37F4N5O4S/c1-6-8-13-29-39-42(27-19-23(38-30(43)7-2)16-17-25(27)33(35,36)37)31(44)41(29)20-22-15-14-21(18-26(22)34)24-11-9-10-12-28(24)47(45,46)40-32(3,4)5/h9-12,14-19,40H,6-8,13,20H2,1-5H3,(H,38,43)