tert-butyl N-[[(2S)-2-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]-[(5-chloranylpyridin-2-yl)carbamothioyl]amino]carbamate

Systemtic Name: tert-butyl N-[[(2S)-2-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]-[(5-chloranylpyridin-2-yl)carbamothioyl]amino]carbamate Openeye Name: tert-butyl N-[(5-chloro-2-pyridyl)carbamothioyl-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]amino]carbamate CAS Name: N-[[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5-chloropyridin-2-yl)carbamothioyl-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]amino]carbamate Traditional Name: N-[(5-chloro-2-pyridyl)thiocarbamoyl-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]amino]carbamic acid tert-butyl ester Formula: C22H24ClF2N7O3S MolecularWeight: 539.985866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClF2N7O3S/c1-21(2,3)35-20(33)30-32(19(36)29-18-7-4-14(23)9-27-18)11-22(34,10-31-13-26-12-28-31)16-6-5-15(24)8-17(16)25/h4-9,12-13,34H,10-11H2,1-3H3,(H,30,33)(H,27,29,36)/t22-/m1/s1