ethyl 7-(4-ethylphenyl)-2-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 7-(4-ethylphenyl)-2-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 7-(4-ethylphenyl)-2-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 7-(4-ethylphenyl)-2-(methylthio)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-ethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 7-(4-ethylphenyl)-2-(methylthio)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=NC3=C(C(=NN23)SC)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=NC3=C(C(=NN23)SC)C(=O)OCC

InChI

InChI=1S/C18H19N3O2S/c1-4-12-6-8-13(9-7-12)14-10-11-19-16-15(18(22)23-5-2)17(24-3)20-21(14)16/h6-11H,4-5H2,1-3H3