2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)ethanone Formula: C14H10BrN3OS2 MolecularWeight: 380.2827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)C3=CC=CS3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)C3=CC=CS3)Br

InChI

InChI=1S/C14H10BrN3OS2/c15-10-5-2-1-4-9(10)13-16-14(18-17-13)21-8-11(19)12-6-3-7-20-12/h1-7H,8H2,(H,16,17,18)