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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Br

InChI

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