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

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone Formula: C16H11BrN4O3S MolecularWeight: 419.25254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H11BrN4O3S/c17-12-5-1-11(2-6-12)15-18-16(20-19-15)25-9-14(22)10-3-7-13(8-4-10)21(23)24/h1-8H,9H2,(H,18,19,20)