4-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole CAS Name: 4-(1,3-benzodioxol-5-yl)-3-[4-(methylthio)phenyl]-5-(trifluoromethyl)-1H-pyrazole IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-[4-(methylthio)phenyl]-5-(trifluoromethyl)-1H-pyrazole Formula: C18H13F3N2O2S MolecularWeight: 378.36823

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NNC(=C2C3=CC4=C(C=C3)OCO4)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NNC(=C2C3=CC4=C(C=C3)OCO4)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O2S/c1-26-12-5-2-10(3-6-12)16-15(17(23-22-16)18(19,20)21)11-4-7-13-14(8-11)25-9-24-13/h2-8H,9H2,1H3,(H,22,23)