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

Systemtic Name: 1-(4-bromophenyl)-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22BrN3O2S/c1-3-4-13-25-20(16-7-11-18(27-2)12-8-16)23-24-21(25)28-14-19(26)15-5-9-17(22)10-6-15/h5-12H,3-4,13-14H2,1-2H3