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

Systemtic Name: ethyl 5-azanyl-1-(4-methylphenyl)carbonyl-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(4-methylbenzoyl)-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-[(4-methylphenyl)-oxomethyl]-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(4-methylbenzoyl)-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-p-toluoyl-pyrazole-4-carboxylic acid ethyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3S/c1-4-21-15(20)11-12(16)18(17-13(11)22-3)14(19)10-7-5-9(2)6-8-10/h5-8H,4,16H2,1-3H3