ethyl 5-(4-tert-butylphenyl)sulfanyl-2-(diethylcarbamoyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-tert-butylphenyl)sulfanyl-2-(diethylcarbamoyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-tert-butylphenyl)sulfanyl-2-(diethylcarbamoyl)pyrazole-3-carboxylate CAS Name: 5-[(4-tert-butylphenyl)thio]-2-[diethylamino(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-tert-butylphenyl)sulfanyl-2-(diethylcarbamoyl)pyrazole-3-carboxylate Traditional Name: 5-[(4-tert-butylphenyl)thio]-2-(diethylcarbamoyl)pyrazole-3-carboxylic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-7-23(8-2)20(26)24-17(19(25)27-9-3)14-18(22-24)28-16-12-10-15(11-13-16)21(4,5)6/h10-14H,7-9H2,1-6H3