ethyl 3-[2,5-bis(chloranyl)phenyl]sulfanyl-1-(diethylcarbamoyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[2,5-bis(chloranyl)phenyl]sulfanyl-1-(diethylcarbamoyl)pyrazole-4-carboxylate Openeye Name: ethyl 3-(2,5-dichlorophenyl)sulfanyl-1-(diethylcarbamoyl)pyrazole-4-carboxylate CAS Name: 3-[(2,5-dichlorophenyl)thio]-1-[diethylamino(oxo)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,5-dichlorophenyl)sulfanyl-1-(diethylcarbamoyl)pyrazole-4-carboxylate Traditional Name: 3-[(2,5-dichlorophenyl)thio]-1-(diethylcarbamoyl)pyrazole-4-carboxylic acid ethyl ester Formula: C17H19Cl2N3O3S MolecularWeight: 416.32206

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C=C(C(=N1)SC2=C(C=CC(=C2)Cl)Cl)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=O)N1C=C(C(=N1)SC2=C(C=CC(=C2)Cl)Cl)C(=O)OCC

InChI

InChI=1S/C17H19Cl2N3O3S/c1-4-21(5-2)17(24)22-10-12(16(23)25-6-3)15(20-22)26-14-9-11(18)7-8-13(14)19/h7-10H,4-6H2,1-3H3