S-[4-(trifluoromethyl)phenyl] 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-1-phenyl-pyrazole-4-carbothioate

Systemtic Name: S-[4-(trifluoromethyl)phenyl] 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-1-phenyl-pyrazole-4-carbothioate Openeye Name: S-[4-(trifluoromethyl)phenyl] 3-methyl-5-(4-methylthiadiazol-5-yl)-1-phenyl-pyrazole-4-carbothioate CAS Name: 3-methyl-5-(4-methyl-5-thiadiazolyl)-1-phenyl-4-pyrazolecarbothioic acid S-[4-(trifluoromethyl)phenyl] ester IUPAC Name: S-[4-(trifluoromethyl)phenyl] 3-methyl-5-(4-methylthiadiazol-5-yl)-1-phenylpyrazole-4-carbothioate Traditional Name: 3-methyl-5-(4-methylthiadiazol-5-yl)-1-phenyl-pyrazole-4-carbothioic acid S-[4-(trifluoromethyl)phenyl] ester Formula: C21H15F3N4OS2 MolecularWeight: 460.49521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C2=C(C(=NN2C3=CC=CC=C3)C)C(=O)SC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=C(SN=N1)C2=C(C(=NN2C3=CC=CC=C3)C)C(=O)SC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H15F3N4OS2/c1-12-17(20(29)30-16-10-8-14(9-11-16)21(22,23)24)18(19-13(2)25-27-31-19)28(26-12)15-6-4-3-5-7-15/h3-11H,1-2H3