3-(2,1,3-benzothiadiazol-5-ylcarbamoyl)pyrazine-2-carboxylic acid

Systemtic Name: 3-(2,1,3-benzothiadiazol-5-ylcarbamoyl)pyrazine-2-carboxylic acid Openeye Name: 3-(2,1,3-benzothiadiazol-5-ylcarbamoyl)pyrazine-2-carboxylic acid CAS Name: 3-[(2,1,3-benzothiadiazol-5-ylamino)-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-(2,1,3-benzothiadiazol-5-ylcarbamoyl)pyrazine-2-carboxylic acid Traditional Name: 3-(piazthiol-5-ylcarbamoyl)pyrazinoic acid Formula: C12H7N5O3S MolecularWeight: 301.28068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C=C1NC(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

C1=CC2=NSN=C2C=C1NC(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C12H7N5O3S/c18-11(9-10(12(19)20)14-4-3-13-9)15-6-1-2-7-8(5-6)17-21-16-7/h1-5H,(H,15,18)(H,19,20)