[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C19H16FN3O3S MolecularWeight: 385.412043

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H16FN3O3S/c1-27-15-4-2-3-14(9-15)21-18(24)11-26-19(25)17-10-16(22-23-17)12-5-7-13(20)8-6-12/h2-10H,11H2,1H3,(H,21,24)(H,22,23)