4-pyridin-3-yl-2-thiophen-2-ylcarbonyl-phthalazin-1-one

Systemtic Name: 4-pyridin-3-yl-2-thiophen-2-ylcarbonyl-phthalazin-1-one Openeye Name: 4-(3-pyridyl)-2-(thiophene-2-carbonyl)phthalazin-1-one CAS Name: 2-[oxo(thiophen-2-yl)methyl]-4-(3-pyridinyl)-1-phthalazinone IUPAC Name: 4-pyridin-3-yl-2-(thiophene-2-carbonyl)phthalazin-1-one Traditional Name: 4-(3-pyridyl)-2-(2-thenoyl)phthalazin-1-one Formula: C18H11N3O2S MolecularWeight: 333.36384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)C(=O)C3=CC=CS3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C(=O)C3=CC=CS3)C4=CN=CC=C4

InChI

InChI=1S/C18H11N3O2S/c22-17-14-7-2-1-6-13(14)16(12-5-3-9-19-11-12)20-21(17)18(23)15-8-4-10-24-15/h1-11H