methyl 4-[(E)-hydroxyiminomethyl]-1-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-[(E)-hydroxyiminomethyl]-1-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[(E)-hydroxyiminomethyl]-1-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-pyrazole-3-carboxylate CAS Name: 4-[(E)-hydroxyiminomethyl]-1-phenyl-5-[[3-(trifluoromethyl)phenyl]thio]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-hydroxyiminomethyl]-1-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazole-3-carboxylate Traditional Name: 4-[(E)-hydroximinomethyl]-1-phenyl-5-[[3-(trifluoromethyl)phenyl]thio]pyrazole-3-carboxylic acid methyl ester Formula: C19H14F3N3O3S MolecularWeight: 421.39297

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1C=NO)SC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NN(C(=C1/C=N/O)SC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C19H14F3N3O3S/c1-28-18(26)16-15(11-23-27)17(25(24-16)13-7-3-2-4-8-13)29-14-9-5-6-12(10-14)19(20,21)22/h2-11,27H,1H3/b23-11+