tert-butyl N-[[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-[(5-chloranylpyridin-2-yl)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]-[(5-chloranylpyridin-2-yl)carbamothioyl]amino]carbamate Openeye Name: tert-butyl N-[(5-chloro-2-pyridyl)carbamothioyl-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]amino]carbamate CAS Name: N-[[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5-chloropyridin-2-yl)carbamothioyl-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]amino]carbamate Traditional Name: N-[(5-chloro-2-pyridyl)thiocarbamoyl-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]amino]carbamic acid tert-butyl ester Formula: C23H26ClF2N7O3S MolecularWeight: 554.012446

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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=NC=C(C=C3)Cl)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=NC=C(C=C3)Cl)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H26ClF2N7O3S/c1-14(23(35,11-32-13-27-12-29-32)17-7-6-16(25)9-18(17)26)33(31-21(34)36-22(2,3)4)20(37)30-19-8-5-15(24)10-28-19/h5-10,12-14,35H,11H2,1-4H3,(H,31,34)(H,28,30,37)/t14-,23-/m1/s1