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

Systemtic Name: 4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thio]methyl]benzoic acid Formula: C10H8N2O2S3 MolecularWeight: 284.37772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NNC(=S)S2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NNC(=S)S2)C(=O)O

InChI

InChI=1S/C10H8N2O2S3/c13-8(14)7-3-1-6(2-4-7)5-16-10-12-11-9(15)17-10/h1-4H,5H2,(H,11,15)(H,13,14)