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

Systemtic Name: 1-(4-bromophenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H13BrN4OS MolecularWeight: 389.26962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=N3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=N3

InChI

InChI=1S/C16H13BrN4OS/c1-21-15(13-4-2-3-9-18-13)19-20-16(21)23-10-14(22)11-5-7-12(17)8-6-11/h2-9H,10H2,1H3