2,6-bis(fluoranyl)-3-[2-oxidanyl-1-(1,2,4-triazol-1-yl)propan-2-yl]benzenecarbothioamide

Systemtic Name: 2,6-bis(fluoranyl)-3-[2-oxidanyl-1-(1,2,4-triazol-1-yl)propan-2-yl]benzenecarbothioamide Openeye Name: 2,6-difluoro-3-[1-hydroxy-1-methyl-2-(1,2,4-triazol-1-yl)ethyl]benzenecarbothioamide CAS Name: 2,6-difluoro-3-[2-hydroxy-1-(1,2,4-triazol-1-yl)propan-2-yl]benzenecarbothioamide IUPAC Name: 2,6-difluoro-3-[2-hydroxy-1-(1,2,4-triazol-1-yl)propan-2-yl]benzenecarbothioamide Traditional Name: 2,6-difluoro-3-[1-hydroxy-1-methyl-2-(1,2,4-triazol-1-yl)ethyl]thiobenzamide Formula: C12H12F2N4OS MolecularWeight: 298.311686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F2N4OS/c1-12(19,4-18-6-16-5-17-18)7-2-3-8(13)9(10(7)14)11(15)20/h2-3,5-6,19H,4H2,1H3,(H2,15,20)