tert-butyl N-[[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamothioyl]amino]carbamate

Systemtic Name: tert-butyl N-[[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamothioyl]amino]carbamate Openeye Name: tert-butyl N-[[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-[[4-(trifluoromethyl)phenyl]carbamothioyl]amino]carbamate CAS Name: N-[[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-[sulfanylidene-[4-(trifluoromethyl)anilino]methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamothioyl]amino]carbamate Traditional Name: N-[[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-[[4-(trifluoromethyl)phenyl]thiocarbamoyl]amino]carbamic acid tert-butyl ester Formula: C25H27F5N6O3S MolecularWeight: 586.577296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N(C(=S)NC3=CC=C(C=C3)C(F)(F)F)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N(C(=S)NC3=CC=C(C=C3)C(F)(F)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H27F5N6O3S/c1-15(24(38,12-35-14-31-13-32-35)19-10-7-17(26)11-20(19)27)36(34-22(37)39-23(2,3)4)21(40)33-18-8-5-16(6-9-18)25(28,29)30/h5-11,13-15,38H,12H2,1-4H3,(H,33,40)(H,34,37)/t15-,24-/m1/s1