2-ethoxyethyl 5-azanyl-1-(4-methylphenyl)-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: 2-ethoxyethyl 5-azanyl-1-(4-methylphenyl)-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: 2-ethoxyethyl 5-amino-3-methylsulfanyl-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-(4-methylphenyl)-3-(methylthio)-4-pyrazolecarboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 5-amino-1-(4-methylphenyl)-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-(p-tolyl)pyrazole-4-carboxylic acid 2-ethoxyethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-4-21-9-10-22-16(20)13-14(17)19(18-15(13)23-3)12-7-5-11(2)6-8-12/h5-8H,4,9-10,17H2,1-3H3