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

Systemtic Name: methyl 5-[(4-chlorophenyl)carbonylamino]-3-methylsulfanyl-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-[(4-chlorobenzoyl)amino]-3-methylsulfanyl-1H-pyrazole-4-carboxylate CAS Name: 5-[[(4-chlorophenyl)-oxomethyl]amino]-3-(methylthio)-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-[(4-chlorobenzoyl)amino]-3-methylsulfanyl-1H-pyrazole-4-carboxylate Traditional Name: 5-[(4-chlorobenzoyl)amino]-3-(methylthio)-1H-pyrazole-4-carboxylic acid methyl ester Formula: C13H12ClN3O3S MolecularWeight: 325.77068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O3S/c1-20-13(19)9-10(16-17-12(9)21-2)15-11(18)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H2,15,16,17,18)