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

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-hydroxyphenyl)ethanone Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-hydroxyphenyl)ethanone CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-hydroxyphenyl)ethanone IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-hydroxyphenyl)ethanone Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-hydroxyphenyl)ethanone Formula: C16H12BrN3O2S MolecularWeight: 390.25438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)O)Br

InChI

InChI=1S/C16H12BrN3O2S/c17-13-4-2-1-3-12(13)15-18-16(20-19-15)23-9-14(22)10-5-7-11(21)8-6-10/h1-8,21H,9H2,(H,18,19,20)