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

Systemtic Name: 2-chloranyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C12H10ClN3O3S2 MolecularWeight: 343.8091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=NN=C(S1)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C12H10ClN3O3S2/c1-6-15-16-12(21-6)20-5-10(17)14-7-2-3-9(13)8(4-7)11(18)19/h2-4H,5H2,1H3,(H,14,17)(H,18,19)