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

Systemtic Name: 3-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid Openeye Name: 3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid Traditional Name: 3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]propanoylamino]benzoic acid Formula: C12H12N4O3S2 MolecularWeight: 324.37868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NN=C(S2)N

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NN=C(S2)N

InChI

InChI=1S/C12H12N4O3S2/c1-6(20-12-16-15-11(13)21-12)9(17)14-8-4-2-3-7(5-8)10(18)19/h2-6H,1H3,(H2,13,15)(H,14,17)(H,18,19)