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

Systemtic Name: 1-(4-bromophenyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3C

InChI

InChI=1S/C19H18BrN3OS/c1-3-23-18(16-7-5-4-6-13(16)2)21-22-19(23)25-12-17(24)14-8-10-15(20)11-9-14/h4-11H,3,12H2,1-2H3