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

Systemtic Name: 1-(4-bromophenyl)-2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H11Br2N3OS MolecularWeight: 453.15104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)Br)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)Br)Br

InChI

InChI=1S/C16H11Br2N3OS/c17-12-5-1-10(2-6-12)14(22)9-23-16-19-15(20-21-16)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,21)