5-[2-(4-methyl-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-methyl-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-hydroxy-4-methyl-1-piperidyl)-2-oxo-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-3-one CAS Name: 5-[2-(4-hydroxy-4-methyl-1-piperidinyl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one IUPAC Name: 5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one Traditional Name: 5-[2-(4-hydroxy-4-methyl-piperidino)-2-keto-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-3-one Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-20(27)8-11-23(12-9-20)18(26)16(13-5-3-2-4-6-13)24-10-7-14-15(19(24)28)17(25)22-21-14/h2-7,10,16,27H,8-9,11-12H2,1H3,(H2,21,22,25)