ethyl 5-azanyl-1-(4-chlorophenyl)carbonyl-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(4-chlorophenyl)carbonyl-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(4-chlorobenzoyl)-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-[(4-chlorophenyl)-oxomethyl]-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(4-chlorobenzoyl)-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(4-chlorobenzoyl)-3-(methylthio)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(N(N=C1SC)C(=O)C2=CC=C(C=C2)Cl)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C(=O)C2=CC=C(C=C2)Cl)N

InChI

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