3-[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetyl]amino]benzoic acid Formula: C12H11N3O3S3 MolecularWeight: 341.42904

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NSC(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CSC1=NSC(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H11N3O3S3/c1-19-11-14-12(21-15-11)20-6-9(16)13-8-4-2-3-7(5-8)10(17)18/h2-5H,6H2,1H3,(H,13,16)(H,17,18)