5-(4-methylsulfonylphenyl)-4-prop-2-enoxy-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one

Systemtic Name: 5-(4-methylsulfonylphenyl)-4-prop-2-enoxy-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 4-allyloxy-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 5-(4-methylsulfonylphenyl)-4-prop-2-enoxy-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 5-(4-methylsulfonylphenyl)-4-prop-2-enoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 4-allyloxy-5-(4-mesylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C16H15F3N2O4S MolecularWeight: 388.36151

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(F)(F)F)OCC=C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(F)(F)F)OCC=C

InChI

InChI=1S/C16H15F3N2O4S/c1-3-8-25-14-13(9-20-21(15(14)22)10-16(17,18)19)11-4-6-12(7-5-11)26(2,23)24/h3-7,9H,1,8,10H2,2H3