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

Systemtic Name: 5-methoxy-4-[(4-methylsulfanylphenyl)methyl]-1-(phenylmethyl)-3-(trifluoromethyl)pyrazole Openeye Name: 1-benzyl-5-methoxy-4-[(4-methylsulfanylphenyl)methyl]-3-(trifluoromethyl)pyrazole CAS Name: 5-methoxy-4-[[4-(methylthio)phenyl]methyl]-1-(phenylmethyl)-3-(trifluoromethyl)pyrazole IUPAC Name: 1-benzyl-5-methoxy-4-[(4-methylsulfanylphenyl)methyl]-3-(trifluoromethyl)pyrazole Traditional Name: 1-benzyl-5-methoxy-4-[4-(methylthio)benzyl]-3-(trifluoromethyl)pyrazole Formula: C20H19F3N2OS MolecularWeight: 392.43787

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NN1CC2=CC=CC=C2)C(F)(F)F)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=C(C(=NN1CC2=CC=CC=C2)C(F)(F)F)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H19F3N2OS/c1-26-19-17(12-14-8-10-16(27-2)11-9-14)18(20(21,22)23)24-25(19)13-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3