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

Systemtic Name: 1-(4-bromophenyl)-2-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[5-(o-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[5-(o-tolyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H14BrN3OS MolecularWeight: 388.28156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrN3OS/c1-11-4-2-3-5-14(11)16-19-17(21-20-16)23-10-15(22)12-6-8-13(18)9-7-12/h2-9H,10H2,1H3,(H,19,20,21)