S-propan-2-yl 4-(2-fluorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbothioate

Systemtic Name: S-propan-2-yl 4-(2-fluorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbothioate Openeye Name: S-isopropyl 4-(2-fluorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbothioate CAS Name: 4-(2-fluorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbothioic acid S-propan-2-yl ester IUPAC Name: S-propan-2-yl 4-(2-fluorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbothioate Traditional Name: 4-(2-fluorophenyl)-6-methyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbothioic acid S-isopropyl ester Formula: C17H18FN3OS MolecularWeight: 331.407723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=CNNC2=N1)C3=CC=CC=C3F)C(=O)SC(C)C

Isomeric SMILES

CC1=C(C(C2=CNNC2=N1)C3=CC=CC=C3F)C(=O)SC(C)C

InChI

InChI=1S/C17H18FN3OS/c1-9(2)23-17(22)14-10(3)20-16-12(8-19-21-16)15(14)11-6-4-5-7-13(11)18/h4-9,15H,1-3H3,(H2,19,20,21)