3-[4-(4-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-(4-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Openeye Name: 3-[4-(p-tolylsulfanyl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-[(4-methylphenyl)thio]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(4-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(p-tolylthio)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Formula: C18H13F3N2OS MolecularWeight: 362.36883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C18H13F3N2OS/c1-11-2-5-13(6-3-11)25-16-8-4-12(10-14(16)18(19,20)21)15-7-9-17(24)23-22-15/h2-10H,1H3,(H,23,24)