3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-(2-brosylethylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C11H10BrF3N4O2S2 MolecularWeight: 431.25191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)CCSC2=NN=C(N2N)C(F)(F)F)Br

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)CCSC2=NN=C(N2N)C(F)(F)F)Br

InChI

InChI=1S/C11H10BrF3N4O2S2/c12-7-1-3-8(4-2-7)23(20,21)6-5-22-10-18-17-9(19(10)16)11(13,14)15/h1-4H,5-6,16H2