ethyl 3-(2-chloranyl-6-methyl-phenyl)sulfanyl-1-(diethylcarbamoyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-(2-chloranyl-6-methyl-phenyl)sulfanyl-1-(diethylcarbamoyl)pyrazole-4-carboxylate Openeye Name: ethyl 3-(2-chloro-6-methyl-phenyl)sulfanyl-1-(diethylcarbamoyl)pyrazole-4-carboxylate CAS Name: 3-[(2-chloro-6-methylphenyl)thio]-1-[diethylamino(oxo)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-chloro-6-methylphenyl)sulfanyl-1-(diethylcarbamoyl)pyrazole-4-carboxylate Traditional Name: 3-[(2-chloro-6-methyl-phenyl)thio]-1-(diethylcarbamoyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C=C(C(=N1)SC2=C(C=CC=C2Cl)C)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=O)N1C=C(C(=N1)SC2=C(C=CC=C2Cl)C)C(=O)OCC

InChI

InChI=1S/C18H22ClN3O3S/c1-5-21(6-2)18(24)22-11-13(17(23)25-7-3)16(20-22)26-15-12(4)9-8-10-14(15)19/h8-11H,5-7H2,1-4H3