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

Systemtic Name: 2-ethoxyethyl 5-azanyl-1-(2,4-dimethylphenyl)-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: 2-ethoxyethyl 5-amino-1-(2,4-dimethylphenyl)-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-(2,4-dimethylphenyl)-3-(methylthio)-4-pyrazolecarboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 5-amino-1-(2,4-dimethylphenyl)-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(2,4-dimethylphenyl)-3-(methylthio)pyrazole-4-carboxylic acid 2-ethoxyethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-5-22-8-9-23-17(21)14-15(18)20(19-16(14)24-4)13-7-6-11(2)10-12(13)3/h6-7,10H,5,8-9,18H2,1-4H3