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

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-propyl-1H-pyrazole-3-carboxylate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 5-propyl-1H-pyrazole-3-carboxylate CAS Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate Traditional Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1)C(=O)OCC(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CCCC1=CC(=NN1)C(=O)OCC(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H19N3O3S/c1-3-4-12-9-14(19-18-12)16(21)22-10-15(20)17-11-5-7-13(23-2)8-6-11/h5-9H,3-4,10H2,1-2H3,(H,17,20)(H,18,19)