[6-(4-fluoranyl-3-methyl-phenyl)-3-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]pyridazin-4-yl]methyl methanesulfonate

Systemtic Name: [6-(4-fluoranyl-3-methyl-phenyl)-3-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]pyridazin-4-yl]methyl methanesulfonate Openeye Name: [2-[(E)-cinnamyl]-6-(4-fluoro-3-methyl-phenyl)-3-oxo-pyridazin-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [6-(4-fluoro-3-methylphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]-4-pyridazinyl]methyl ester IUPAC Name: [6-(4-fluoro-3-methylphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazin-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-[(E)-cinnamyl]-6-(4-fluoro-3-methyl-phenyl)-3-keto-pyridazin-4-yl]methyl ester Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)COS(=O)(=O)C)CC=CC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)COS(=O)(=O)C)C/C=C/C3=CC=CC=C3)F

InChI

InChI=1S/C22H21FN2O4S/c1-16-13-18(10-11-20(16)23)21-14-19(15-29-30(2,27)28)22(26)25(24-21)12-6-9-17-7-4-3-5-8-17/h3-11,13-14H,12,15H2,1-2H3/b9-6+