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

Systemtic Name: 1-[3-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-ethoxy-phenyl]ethanone Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3O2S/c1-3-25-17-9-6-14(12(2)24)10-15(17)11-26-19-21-18(22-23-19)13-4-7-16(20)8-5-13/h4-10H,3,11H2,1-2H3,(H,21,22,23)