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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NCC2=CSN=N2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NCC2=CSN=N2

InChI

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