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

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-methyl-1H-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-methyl-1H-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-5-methyl-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-methyl-1H-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-5-methyl-1H-1,2,4-triazole Formula: C11H12BrN3O2S2 MolecularWeight: 362.26588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCCS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=NC(=NN1)SCCS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H12BrN3O2S2/c1-8-13-11(15-14-8)18-6-7-19(16,17)10-4-2-9(12)3-5-10/h2-5H,6-7H2,1H3,(H,13,14,15)