ethyl 5-azanyl-1-(4-methoxyphenyl)carbonyl-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(4-methoxyphenyl)carbonyl-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(4-methoxybenzoyl)-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-[(4-methoxyphenyl)-oxomethyl]-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(4-methoxybenzoyl)-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-p-anisoyl-pyrazole-4-carboxylic acid ethyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S/c1-4-22-15(20)11-12(16)18(17-13(11)23-3)14(19)9-5-7-10(21-2)8-6-9/h5-8H,4,16H2,1-3H3