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

Systemtic Name: 1-(4-bromophenyl)-2-[[4-methyl-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(benzylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-methyl-5-[(phenylmethylthio)methyl]-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[[5-(benzylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[[5-[(benzylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone Formula: C19H18BrN3OS2 MolecularWeight: 448.39972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CSCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CSCC3=CC=CC=C3

InChI

InChI=1S/C19H18BrN3OS2/c1-23-18(13-25-11-14-5-3-2-4-6-14)21-22-19(23)26-12-17(24)15-7-9-16(20)10-8-15/h2-10H,11-13H2,1H3