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

Systemtic Name: 4-[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetyl]amino]benzoate Formula: C12H10N3O3S3- MolecularWeight: 340.4211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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