3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-5-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-5-(p-tolyl)-1H-1,2,4-triazole Formula: C17H16BrN3O2S2 MolecularWeight: 438.36184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3O2S2/c1-12-2-4-13(5-3-12)16-19-17(21-20-16)24-10-11-25(22,23)15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H,19,20,21)