ethyl 4-(2-methylsulfanylphenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 4-(2-methylsulfanylphenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(2-methylsulfanylphenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-[2-(methylthio)phenyl]-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylsulfanylphenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-[2-(methylthio)phenyl]-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2=CNNC2=N1)C3=CC=CC=C3SC)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C2=CNNC2=N1)C3=CC=CC=C3SC)C(=O)OCC

InChI

InChI=1S/C19H23N3O2S/c1-4-8-14-17(19(23)24-5-2)16(13-11-20-22-18(13)21-14)12-9-6-7-10-15(12)25-3/h6-7,9-11,16H,4-5,8H2,1-3H3,(H2,20,21,22)