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

Systemtic Name: ethyl 5-azanyl-1-(4-chlorophenyl)carbonyl-3-[(4-chlorophenyl)methylsulfanyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(4-chlorobenzoyl)-3-[(4-chlorophenyl)methylsulfanyl]pyrazole-4-carboxylate CAS Name: 5-amino-3-[(4-chlorophenyl)methylthio]-1-[(4-chlorophenyl)-oxomethyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(4-chlorobenzoyl)-3-[(4-chlorophenyl)methylsulfanyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-(4-chlorobenzoyl)-3-[(4-chlorobenzyl)thio]pyrazole-4-carboxylic acid ethyl ester Formula: C20H17Cl2N3O3S MolecularWeight: 450.33828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SCC2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SCC2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C20H17Cl2N3O3S/c1-2-28-20(27)16-17(23)25(19(26)13-5-9-15(22)10-6-13)24-18(16)29-11-12-3-7-14(21)8-4-12/h3-10H,2,11,23H2,1H3