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

Systemtic Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H18BrN3OS MolecularWeight: 452.36682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H18BrN3OS/c1-26-21(13-17-7-4-6-15-5-2-3-8-19(15)17)24-25-22(26)28-14-20(27)16-9-11-18(23)12-10-16/h2-12H,13-14H2,1H3