2-[3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propylthio]-3-pyridinecarboxylate IUPAC Name: 2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[3-(1,3-diketobenzo[de]isoquinolin-2-yl)propylthio]nicotinate Formula: C21H15N2O4S- MolecularWeight: 391.4198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSC4=C(C=CC=N4)C(=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSC4=C(C=CC=N4)C(=O)[O-]

InChI

InChI=1S/C21H16N2O4S/c24-19-14-7-1-5-13-6-2-8-15(17(13)14)20(25)23(19)11-4-12-28-18-16(21(26)27)9-3-10-22-18/h1-3,5-10H,4,11-12H2,(H,26,27)/p-1