5-(4-methylsulfanylphenyl)-4-(propylamino)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one

Systemtic Name: 5-(4-methylsulfanylphenyl)-4-(propylamino)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 5-(4-methylsulfanylphenyl)-4-(propylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 5-[4-(methylthio)phenyl]-4-(propylamino)-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 5-(4-methylsulfanylphenyl)-4-(propylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 5-[4-(methylthio)phenyl]-4-(propylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C16H18F3N3OS MolecularWeight: 357.39383

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)SC

Isomeric SMILES

CCCNC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)SC

InChI

InChI=1S/C16H18F3N3OS/c1-3-8-20-14-13(11-4-6-12(24-2)7-5-11)9-21-22(15(14)23)10-16(17,18)19/h4-7,9,20H,3,8,10H2,1-2H3