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

Systemtic Name: 2-chloranyl-5-[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetyl]amino]benzoic acid Formula: C12H10ClN3O3S3 MolecularWeight: 375.8741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN3O3S3/c1-20-11-15-12(22-16-11)21-5-9(17)14-6-2-3-8(13)7(4-6)10(18)19/h2-4H,5H2,1H3,(H,14,17)(H,18,19)