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

Systemtic Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)COC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)COC3=CC=CC=C3

InChI

InChI=1S/C18H16BrN3O2S/c1-22-17(11-24-15-5-3-2-4-6-15)20-21-18(22)25-12-16(23)13-7-9-14(19)10-8-13/h2-10H,11-12H2,1H3