5-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]-1H-pyridazin-6-one

Systemtic Name: 5-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]-1H-pyridazin-6-one Openeye Name: 5-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]-1H-pyridazin-6-one CAS Name: 5-[2,2-dimethyl-6-(trifluoromethylthio)-1-benzopyran-4-yl]-1H-pyridazin-6-one IUPAC Name: 5-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]-1H-pyridazin-6-one Traditional Name: 5-[2,2-dimethyl-6-(trifluoromethylthio)chromen-4-yl]-1H-pyridazin-6-one Formula: C16H13F3N2O2S MolecularWeight: 354.34683

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(O1)C=CC(=C2)SC(F)(F)F)C3=CC=NNC3=O)C

Isomeric SMILES

CC1(C=C(C2=C(O1)C=CC(=C2)SC(F)(F)F)C3=CC=NNC3=O)C

InChI

InChI=1S/C16H13F3N2O2S/c1-15(2)8-12(10-5-6-20-21-14(10)22)11-7-9(24-16(17,18)19)3-4-13(11)23-15/h3-8H,1-2H3,(H,21,22)