1-(4-methylphenyl)-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methylphenyl)-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(p-tolyl)-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methylphenyl)-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(p-tolyl)-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C12H10F3N3OS MolecularWeight: 301.28751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C(F)(F)F

InChI

InChI=1S/C12H10F3N3OS/c1-7-2-4-8(5-3-7)9(19)6-20-11-16-10(17-18-11)12(13,14)15/h2-5H,6H2,1H3,(H,16,17,18)