4-(3-chloranyl-4-methylsulfanyl-phenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole

Systemtic Name: 4-(3-chloranyl-4-methylsulfanyl-phenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole Openeye Name: 4-(3-chloro-4-methylsulfanyl-phenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole CAS Name: 4-[3-chloro-4-(methylthio)phenyl]-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole IUPAC Name: 4-(3-chloro-4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole Traditional Name: 4-[3-chloro-4-(methylthio)phenyl]-3-(4-mesylphenyl)-5-(trifluoromethyl)-1H-pyrazole Formula: C18H14ClF3N2O2S2 MolecularWeight: 446.89417

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C2=C(NN=C2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)Cl

Isomeric SMILES

CSC1=C(C=C(C=C1)C2=C(NN=C2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)Cl

InChI

InChI=1S/C18H14ClF3N2O2S2/c1-27-14-8-5-11(9-13(14)19)15-16(23-24-17(15)18(20,21)22)10-3-6-12(7-4-10)28(2,25)26/h3-9H,1-2H3,(H,23,24)