3-[(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(5-chlorothiadiazol-4-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(5-chloro-4-thiadiazolyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(5-chlorothiadiazol-4-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(5-chlorothiadiazol-4-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C12H7ClN4O3S MolecularWeight: 322.72698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7ClN4O3S/c13-10-8(14-16-21-10)5-17-11(18)7-4-2-1-3-6(7)9(15-17)12(19)20/h1-4H,5H2,(H,19,20)