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

Systemtic Name: 5-[2-(azocan-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one Openeye Name: 5-[2-(azocan-1-yl)-2-oxo-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-3-one CAS Name: 5-[2-(1-azocanyl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one IUPAC Name: 5-[2-(azocan-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one Traditional Name: 5-[2-(azocan-1-yl)-2-keto-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-3-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C(C2=CC=CC=C2)N3C=CC4=C(C3=S)C(=O)NN4

Isomeric SMILES

C1CCCN(CCC1)C(=O)C(C2=CC=CC=C2)N3C=CC4=C(C3=S)C(=O)NN4

InChI

InChI=1S/C21H24N4O2S/c26-19-17-16(22-23-19)11-14-25(21(17)28)18(15-9-5-4-6-10-15)20(27)24-12-7-2-1-3-8-13-24/h4-6,9-11,14,18H,1-3,7-8,12-13H2,(H2,22,23,26)