4-[[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(1,4-dioxo-3H-phthalazin-2-yl)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(1,4-dioxo-3H-phthalazin-2-yl)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(1,4-dioxo-3H-phthalazin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(1,4-diketo-3H-phthalazin-2-yl)methyl]thiazole-2-carboxylic acid Formula: C13H9N3O4S MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC3=CSC(=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC3=CSC(=N3)C(=O)O

InChI

InChI=1S/C13H9N3O4S/c17-10-8-3-1-2-4-9(8)12(18)16(15-10)5-7-6-21-11(14-7)13(19)20/h1-4,6H,5H2,(H,15,17)(H,19,20)