3-(1,2,3-thiadiazol-4-ylmethylamino)benzoic acid

Systemtic Name: 3-(1,2,3-thiadiazol-4-ylmethylamino)benzoic acid Openeye Name: 3-(thiadiazol-4-ylmethylamino)benzoic acid CAS Name: 3-(4-thiadiazolylmethylamino)benzoic acid IUPAC Name: 3-(thiadiazol-4-ylmethylamino)benzoic acid Traditional Name: 3-(thiadiazol-4-ylmethylamino)benzoic acid Formula: C10H9N3O2S MolecularWeight: 235.26236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=CSN=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=CSN=N2)C(=O)O

InChI

InChI=1S/C10H9N3O2S/c14-10(15)7-2-1-3-8(4-7)11-5-9-6-16-13-12-9/h1-4,6,11H,5H2,(H,14,15)