5-[2-(4-butyl-4-oxidanyl-piperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one

Systemtic Name: 5-[2-(4-butyl-4-oxidanyl-piperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one Openeye Name: 5-[2-(4-butyl-4-hydroxy-1-piperidyl)-2-oxo-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-3-one CAS Name: 5-[2-(4-butyl-4-hydroxy-1-piperidinyl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one IUPAC Name: 5-[2-(4-butyl-4-hydroxypiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one Traditional Name: 5-[2-(4-butyl-4-hydroxy-piperidino)-2-keto-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-3-one Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=CC4=C(C3=S)C(=O)NN4)O

Isomeric SMILES

CCCCC1(CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=CC4=C(C3=S)C(=O)NN4)O

InChI

InChI=1S/C23H28N4O3S/c1-2-3-10-23(30)11-14-26(15-12-23)21(29)19(16-7-5-4-6-8-16)27-13-9-17-18(22(27)31)20(28)25-24-17/h4-9,13,19,30H,2-3,10-12,14-15H2,1H3,(H2,24,25,28)