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

Systemtic Name: 1-(3-bromophenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3-bromophenyl)-2-[[4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3-bromophenyl)-2-[[4-methyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3-bromophenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3-bromophenyl)-2-[[4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H13BrN4OS MolecularWeight: 389.26962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)Br)C3=CC=CC=N3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)Br)C3=CC=CC=N3

InChI

InChI=1S/C16H13BrN4OS/c1-21-15(13-7-2-3-8-18-13)19-20-16(21)23-10-14(22)11-5-4-6-12(17)9-11/h2-9H,10H2,1H3