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

Systemtic Name: 2-methyl-3-(1,2,3-thiadiazol-4-ylmethylamino)benzoic acid Openeye Name: 2-methyl-3-(thiadiazol-4-ylmethylamino)benzoic acid CAS Name: 2-methyl-3-(4-thiadiazolylmethylamino)benzoic acid IUPAC Name: 2-methyl-3-(thiadiazol-4-ylmethylamino)benzoic acid Traditional Name: 2-methyl-3-(thiadiazol-4-ylmethylamino)benzoic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NCC2=CSN=N2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NCC2=CSN=N2)C(=O)O

InChI

InChI=1S/C11H11N3O2S/c1-7-9(11(15)16)3-2-4-10(7)12-5-8-6-17-14-13-8/h2-4,6,12H,5H2,1H3,(H,15,16)