ethyl 1-(pyridin-2-ylmethyl)-5-(2-pyridin-2-ylsulfanylethanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 1-(pyridin-2-ylmethyl)-5-(2-pyridin-2-ylsulfanylethanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Openeye Name: ethyl 1-(2-pyridylmethyl)-5-[2-(2-pyridylsulfanyl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate CAS Name: 5-[1-oxo-2-(2-pyridinylthio)ethyl]-1-(2-pyridinylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(pyridin-2-ylmethyl)-5-(2-pyridin-2-ylsulfanylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Traditional Name: 1-(2-pyridylmethyl)-5-[2-(2-pyridylthio)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)CSC3=CC=CC=N3)CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)CSC3=CC=CC=N3)CC4=CC=CC=N4

InChI

InChI=1S/C22H23N5O3S/c1-2-30-22(29)21-17-14-26(20(28)15-31-19-8-4-6-11-24-19)12-9-18(17)27(25-21)13-16-7-3-5-10-23-16/h3-8,10-11H,2,9,12-15H2,1H3