ethyl 5-[(4-chlorophenyl)carbonylamino]-3-methylsulfanyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-chlorophenyl)carbonylamino]-3-methylsulfanyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-chlorobenzoyl)amino]-3-methylsulfanyl-1H-pyrazole-4-carboxylate CAS Name: 5-[[(4-chlorophenyl)-oxomethyl]amino]-3-(methylthio)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chlorobenzoyl)amino]-3-methylsulfanyl-1H-pyrazole-4-carboxylate Traditional Name: 5-[(4-chlorobenzoyl)amino]-3-(methylthio)-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C14H14ClN3O3S MolecularWeight: 339.79726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1SC)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(NN=C1SC)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H14ClN3O3S/c1-3-21-14(20)10-11(17-18-13(10)22-2)16-12(19)8-4-6-9(15)7-5-8/h4-7H,3H2,1-2H3,(H2,16,17,18,19)