4-[(4-methylsulfanylphenyl)methyl]-3-propan-2-yloxy-5-(trifluoromethyl)-1H-pyrazole

Systemtic Name: 4-[(4-methylsulfanylphenyl)methyl]-3-propan-2-yloxy-5-(trifluoromethyl)-1H-pyrazole Openeye Name: 3-isopropoxy-4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole CAS Name: 4-[[4-(methylthio)phenyl]methyl]-3-propan-2-yloxy-5-(trifluoromethyl)-1H-pyrazole IUPAC Name: 4-[(4-methylsulfanylphenyl)methyl]-3-propan-2-yloxy-5-(trifluoromethyl)-1H-pyrazole Traditional Name: 3-isopropoxy-4-[4-(methylthio)benzyl]-5-(trifluoromethyl)-1H-pyrazole Formula: C15H17F3N2OS MolecularWeight: 330.36849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NNC(=C1CC2=CC=C(C=C2)SC)C(F)(F)F

Isomeric SMILES

CC(C)OC1=NNC(=C1CC2=CC=C(C=C2)SC)C(F)(F)F

InChI

InChI=1S/C15H17F3N2OS/c1-9(2)21-14-12(13(19-20-14)15(16,17)18)8-10-4-6-11(22-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,19,20)