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

Systemtic Name: 4-(1,2,4-thiadiazol-3-yl)benzoic acid Openeye Name: 4-(1,2,4-thiadiazol-3-yl)benzoic acid CAS Name: 4-(1,2,4-thiadiazol-3-yl)benzoic acid IUPAC Name: 4-(1,2,4-thiadiazol-3-yl)benzoic acid Traditional Name: 4-(1,2,4-thiadiazol-3-yl)benzoic acid Formula: C9H6N2O2S MolecularWeight: 206.22114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NSC=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NSC=N2)C(=O)O

InChI

InChI=1S/C9H6N2O2S/c12-9(13)7-3-1-6(2-4-7)8-10-5-14-11-8/h1-5H,(H,12,13)