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

Systemtic Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-methyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-methyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H16BrN3OS2 MolecularWeight: 434.37314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CSC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CSC3=CC=CC=C3

InChI

InChI=1S/C18H16BrN3OS2/c1-22-17(12-24-15-5-3-2-4-6-15)20-21-18(22)25-11-16(23)13-7-9-14(19)10-8-13/h2-10H,11-12H2,1H3