4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzoic acid

Systemtic Name: 4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzoic acid Openeye Name: 4-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)benzoic acid CAS Name: 4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzoic acid IUPAC Name: 4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzoic acid Traditional Name: 4-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)benzoic acid Formula: C9H6N2O2S2 MolecularWeight: 238.28614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=S)S2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=S)S2)C(=O)O

InChI

InChI=1S/C9H6N2O2S2/c12-8(13)6-3-1-5(2-4-6)7-10-11-9(14)15-7/h1-4H,(H,11,14)(H,12,13)