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

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-3-one CAS Name: 5-[2-(1-azepanyl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one IUPAC Name: 5-[2-(azepan-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-3-one Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=CC4=C(C3=S)C(=O)NN4

Isomeric SMILES

C1CCCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=CC4=C(C3=S)C(=O)NN4

InChI

InChI=1S/C20H22N4O2S/c25-18-16-15(21-22-18)10-13-24(20(16)27)17(14-8-4-3-5-9-14)19(26)23-11-6-1-2-7-12-23/h3-5,8-10,13,17H,1-2,6-7,11-12H2,(H2,21,22,25)