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

Systemtic Name: ethyl 4-[3,5-bis(chloranyl)phenyl]sulfanyl-5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylate CAS Name: 4-[(3,5-dichlorophenyl)thio]-5-ethyl-1-(2-hydroxyethyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylate Traditional Name: 4-[(3,5-dichlorophenyl)thio]-5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid ethyl ester Formula: C16H18Cl2N2O3S MolecularWeight: 389.29672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCO)C(=O)OCC)SC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CCC1=C(C(=NN1CCO)C(=O)OCC)SC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C16H18Cl2N2O3S/c1-3-13-15(24-12-8-10(17)7-11(18)9-12)14(16(22)23-4-2)19-20(13)5-6-21/h7-9,21H,3-6H2,1-2H3