4-oxidanylidene-3-(1,3-thiazol-4-ylmethyl)phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-(1,3-thiazol-4-ylmethyl)phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-(thiazol-4-ylmethyl)phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-(4-thiazolylmethyl)-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-(1,3-thiazol-4-ylmethyl)phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-(thiazol-4-ylmethyl)phthalazine-1-carboxylic acid Formula: C13H9N3O3S MolecularWeight: 287.29386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O3S/c17-12-10-4-2-1-3-9(10)11(13(18)19)15-16(12)5-8-6-20-7-14-8/h1-4,6-7H,5H2,(H,18,19)