3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Formula: C12H11BrF3N3O2S2 MolecularWeight: 430.26385

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C12H11BrF3N3O2S2/c1-19-10(12(14,15)16)17-18-11(19)22-6-7-23(20,21)9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3