3-methoxy-4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole

Systemtic Name: 3-methoxy-4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole Openeye Name: 3-methoxy-4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole CAS Name: 3-methoxy-4-[[4-(methylthio)phenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole IUPAC Name: 3-methoxy-4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole Traditional Name: 3-methoxy-4-[4-(methylthio)benzyl]-5-(trifluoromethyl)-1H-pyrazole Formula: C13H13F3N2OS MolecularWeight: 302.31533

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1CC2=CC=C(C=C2)SC)C(F)(F)F

Isomeric SMILES

COC1=NNC(=C1CC2=CC=C(C=C2)SC)C(F)(F)F

InChI

InChI=1S/C13H13F3N2OS/c1-19-12-10(11(17-18-12)13(14,15)16)7-8-3-5-9(20-2)6-4-8/h3-6H,7H2,1-2H3,(H,17,18)