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

Systemtic Name: 2-chloranyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propanoylamino]benzoic acid Formula: C13H12ClN3O3S2 MolecularWeight: 357.83568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O3S2/c1-6(21-13-17-16-7(2)22-13)11(18)15-8-3-4-10(14)9(5-8)12(19)20/h3-6H,1-2H3,(H,15,18)(H,19,20)