1-pyridazin-3-ylpropan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1-pyridazin-3-ylpropan-2-yl 4-methylbenzenesulfonate Openeye Name: (1-methyl-2-pyridazin-3-yl-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-(3-pyridazinyl)propan-2-yl ester IUPAC Name: 1-pyridazin-3-ylpropan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methyl-2-pyridazin-3-yl-ethyl) ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC2=NN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC2=NN=CC=C2

InChI

InChI=1S/C14H16N2O3S/c1-11-5-7-14(8-6-11)20(17,18)19-12(2)10-13-4-3-9-15-16-13/h3-9,12H,10H2,1-2H3