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

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-methyl-5-(o-tolyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-4-methyl-5-(o-tolyl)-1,2,4-triazole Formula: C18H18BrN3O2S2 MolecularWeight: 452.38842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O2S2/c1-13-5-3-4-6-16(13)17-20-21-18(22(17)2)25-11-12-26(23,24)15-9-7-14(19)8-10-15/h3-10H,11-12H2,1-2H3