methyl 2-propylsulfanyl-4-[3-(trifluoromethyl)pyrazol-3-yl]benzoate

Systemtic Name: methyl 2-propylsulfanyl-4-[3-(trifluoromethyl)pyrazol-3-yl]benzoate Openeye Name: methyl 2-propylsulfanyl-4-[3-(trifluoromethyl)pyrazol-3-yl]benzoate CAS Name: 2-(propylthio)-4-[3-(trifluoromethyl)-3-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 2-propylsulfanyl-4-[3-(trifluoromethyl)pyrazol-3-yl]benzoate Traditional Name: 2-(propylthio)-4-[3-(trifluoromethyl)pyrazol-3-yl]benzoic acid methyl ester Formula: C15H15F3N2O2S MolecularWeight: 344.35201

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=C1)C2(C=CN=N2)C(F)(F)F)C(=O)OC

Isomeric SMILES

CCCSC1=C(C=CC(=C1)C2(C=CN=N2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C15H15F3N2O2S/c1-3-8-23-12-9-10(4-5-11(12)13(21)22-2)14(15(16,17)18)6-7-19-20-14/h4-7,9H,3,8H2,1-2H3