3-propan-2-ylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 3-propan-2-ylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-isopropylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one CAS Name: 3-(propan-2-ylthio)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one IUPAC Name: 3-propan-2-ylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-(isopropylthio)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Formula: C12H12F3N3OS MolecularWeight: 303.30339

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NNC(=O)N1C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)SC1=NNC(=O)N1C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C12H12F3N3OS/c1-7(2)20-11-17-16-10(19)18(11)9-5-3-4-8(6-9)12(13,14)15/h3-7H,1-2H3,(H,16,19)