4-[3-[2-[4-(furan-2-ylmethylsulfanyl)-5-nitro-cyclohex-2-en-1-yl]-4-oxidanylidene-2,3-dihydropyridin-1-yl]propylamino]-2H-phthalazin-1-one

Systemtic Name: 4-[3-[2-[4-(furan-2-ylmethylsulfanyl)-5-nitro-cyclohex-2-en-1-yl]-4-oxidanylidene-2,3-dihydropyridin-1-yl]propylamino]-2H-phthalazin-1-one Openeye Name: 4-[3-[2-[4-(2-furylmethylsulfanyl)-5-nitro-cyclohex-2-en-1-yl]-4-oxo-2,3-dihydropyridin-1-yl]propylamino]-2H-phthalazin-1-one CAS Name: 4-[3-[2-[4-(2-furanylmethylthio)-5-nitro-1-cyclohex-2-enyl]-4-oxo-2,3-dihydropyridin-1-yl]propylamino]-2H-phthalazin-1-one IUPAC Name: 4-[3-[2-[4-(furan-2-ylmethylsulfanyl)-5-nitrocyclohex-2-en-1-yl]-4-oxo-2,3-dihydropyridin-1-yl]propylamino]-2H-phthalazin-1-one Traditional Name: 4-[3-[2-[4-(2-furfurylthio)-5-nitro-cyclohex-2-en-1-yl]-4-keto-2,3-dihydropyridin-1-yl]propylamino]-2H-phthalazin-1-one Formula: C27H29N5O5S MolecularWeight: 535.61466

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC(C1[N+](=O)[O-])SCC2=CC=CO2)C3CC(=O)C=CN3CCCNC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1C(C=CC(C1[N+](=O)[O-])SCC2=CC=CO2)C3CC(=O)C=CN3CCCNC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C27H29N5O5S/c33-19-10-13-31(12-4-11-28-26-21-6-1-2-7-22(21)27(34)30-29-26)23(16-19)18-8-9-25(24(15-18)32(35)36)38-17-20-5-3-14-37-20/h1-3,5-10,13-14,18,23-25H,4,11-12,15-17H2,(H,28,29)(H,30,34)