methyl 4-[1-[3,5-bis(trifluoromethyl)phenyl]carbonylpyrazol-3-yl]-3-methyl-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-[1-[3,5-bis(trifluoromethyl)phenyl]carbonylpyrazol-3-yl]-3-methyl-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-[1-[3,5-bis(trifluoromethyl)benzoyl]pyrazol-3-yl]-3-methyl-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[1-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-3-pyrazolyl]-3-methyl-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[1-[3,5-bis(trifluoromethyl)benzoyl]pyrazol-3-yl]-3-methyl-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[1-[3,5-bis(trifluoromethyl)benzoyl]pyrazol-3-yl]-3-methyl-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C20H14F6N2O3S2 MolecularWeight: 508.457179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NN(C=C2)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)SC)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C2=NN(C=C2)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)SC)C(=O)OC

InChI

InChI=1S/C20H14F6N2O3S2/c1-9-14(18(32-3)33-15(9)17(30)31-2)13-4-5-28(27-13)16(29)10-6-11(19(21,22)23)8-12(7-10)20(24,25)26/h4-8H,1-3H3