3-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-isopropyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-isopropyl-4-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazole-5-thione Formula: C13H14F3N3S MolecularWeight: 301.33057

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=S)N1CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)C1=NNC(=S)N1CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H14F3N3S/c1-8(2)11-17-18-12(20)19(11)7-9-4-3-5-10(6-9)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,18,20)