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

Systemtic Name: 5-(4-methylsulfonylphenyl)-4-propylsulfanyl-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 5-(4-methylsulfonylphenyl)-4-propylsulfanyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 5-(4-methylsulfonylphenyl)-4-(propylthio)-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 5-(4-methylsulfonylphenyl)-4-propylsulfanyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 5-(4-mesylphenyl)-4-(propylthio)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C16H17F3N2O3S2 MolecularWeight: 406.44299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCSC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H17F3N2O3S2/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/h4-7,9H,3,8,10H2,1-2H3