ethyl 5-azanyl-3-[(4-chlorophenyl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(4-chlorophenyl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-[(4-chlorophenyl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazole-4-carboxylate CAS Name: 5-amino-3-[(4-chlorophenyl)methylthio]-1-(2,2-dimethyl-1-oxopropyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-chlorophenyl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazole-4-carboxylate Traditional Name: 5-amino-3-[(4-chlorobenzyl)thio]-1-pivaloyl-pyrazole-4-carboxylic acid ethyl ester Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O3S/c1-5-25-16(23)13-14(20)22(17(24)18(2,3)4)21-15(13)26-10-11-6-8-12(19)9-7-11/h6-9H,5,10,20H2,1-4H3