4-[2-oxidanylidene-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2H-phthalazin-1-one Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1SC=C2)C3=CC=CS3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(C(C2=C1SC=C2)C3=CC=CS3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C21H17N3O2S2/c25-19(12-16-13-4-1-2-5-14(13)21(26)23-22-16)24-9-7-17-15(8-11-28-17)20(24)18-6-3-10-27-18/h1-6,8,10-11,20H,7,9,12H2,(H,23,26)