3-[(5E)-4-oxidanylidene-5-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[(5E)-4-oxidanylidene-5-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]-2H-phthalazine-1,4-dione Openeye Name: 3-[(5E)-4-oxo-5-(3-pyridylmethylene)thiazol-2-yl]-2H-phthalazine-1,4-dione CAS Name: 3-[(5E)-4-oxo-5-(3-pyridinylmethylidene)-2-thiazolyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-1,3-thiazol-2-yl]-2H-phthalazine-1,4-dione Traditional Name: 3-[(5E)-4-keto-5-(3-pyridylmethylene)-2-thiazolin-2-yl]-2H-phthalazine-1,4-quinone Formula: C17H10N4O3S MolecularWeight: 350.3513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)C3=NC(=O)C(=CC4=CN=CC=C4)S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)C3=NC(=O)/C(=C\C4=CN=CC=C4)/S3

InChI

InChI=1S/C17H10N4O3S/c22-14-11-5-1-2-6-12(11)16(24)21(20-14)17-19-15(23)13(25-17)8-10-4-3-7-18-9-10/h1-9H,(H,20,22)/b13-8+