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

Systemtic Name: 1-[4-(4-bromophenyl)phenyl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(4-bromophenyl)phenyl]-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(4-bromophenyl)phenyl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-bromophenyl)phenyl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-bromophenyl)phenyl]-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H17BrN4OS MolecularWeight: 465.36558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C22H17BrN4OS/c1-27-21(18-10-12-24-13-11-18)25-26-22(27)29-14-20(28)17-4-2-15(3-5-17)16-6-8-19(23)9-7-16/h2-13H,14H2,1H3