3-carbamothioyl-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-carbamothioyl-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-carbamothioyl-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-carbamothioyl-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-carbamothioyl-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-thiocarbamoyl-phthalazine-1-carboxylic acid Formula: C10H7N3O3S MolecularWeight: 249.24588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)C(=S)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C(=S)N)C(=O)O

InChI

InChI=1S/C10H7N3O3S/c11-10(17)13-8(14)6-4-2-1-3-5(6)7(12-13)9(15)16/h1-4H,(H2,11,17)(H,15,16)