ethyl 5-azanyl-3-tert-butylsulfanyl-1-(phenylcarbonyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-tert-butylsulfanyl-1-(phenylcarbonyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-benzoyl-3-tert-butylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-benzoyl-3-(tert-butylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-benzoyl-3-tert-butylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-benzoyl-3-(tert-butylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC(C)(C)C)C(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC(C)(C)C)C(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C17H21N3O3S/c1-5-23-16(22)12-13(18)20(19-14(12)24-17(2,3)4)15(21)11-9-7-6-8-10-11/h6-10H,5,18H2,1-4H3