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

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-5-phenyl-1H-1,2,4-triazole Formula: C16H14BrN3O2S2 MolecularWeight: 424.33526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O2S2/c17-13-6-8-14(9-7-13)24(21,22)11-10-23-16-18-15(19-20-16)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19,20)