methyl 2-[4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfanylbenzoate Openeye Name: methyl 2-[4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfanylbenzoate CAS Name: 2-[[4-cyano-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfanylbenzoate Traditional Name: 2-[[4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thio]benzoic acid methyl ester Formula: C14H10F3N3O2S MolecularWeight: 341.30831

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C#N)SC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C#N)SC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C14H10F3N3O2S/c1-20-12(9(7-18)11(19-20)14(15,16)17)23-10-6-4-3-5-8(10)13(21)22-2/h3-6H,1-2H3