[4-(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)-1,2,4-triazol-3-yl]methyl methanesulfonate

Systemtic Name: [4-(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)-1,2,4-triazol-3-yl]methyl methanesulfonate Openeye Name: [4-[4-bromo-2-(pyridine-2-carbonyl)phenyl]-1,2,4-triazol-3-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [4-[4-bromo-2-[oxo(2-pyridinyl)methyl]phenyl]-1,2,4-triazol-3-yl]methyl ester IUPAC Name: [4-[4-bromo-2-(pyridine-2-carbonyl)phenyl]-1,2,4-triazol-3-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [4-(4-bromo-2-picolinoyl-phenyl)-1,2,4-triazol-3-yl]methyl ester Formula: C16H13BrN4O4S MolecularWeight: 437.26782

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1=NN=CN1C2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=N3

Isomeric SMILES

CS(=O)(=O)OCC1=NN=CN1C2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=N3

InChI

InChI=1S/C16H13BrN4O4S/c1-26(23,24)25-9-15-20-19-10-21(15)14-6-5-11(17)8-12(14)16(22)13-4-2-3-7-18-13/h2-8,10H,9H2,1H3