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

Systemtic Name: 2-chloranyl-4-[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 2-chloro-4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-chloro-4-[[2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 2-chloro-4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-chloro-4-[[2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetyl]amino]benzoate Formula: C12H9ClN3O3S3- MolecularWeight: 374.86616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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