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

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

C1=CC(=CC(=C1)NC(=O)CCSC2=NN=C(S2)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCSC2=NN=C(S2)N)C(=O)O

InChI

InChI=1S/C12H12N4O3S2/c13-11-15-16-12(21-11)20-5-4-9(17)14-8-3-1-2-7(6-8)10(18)19/h1-3,6H,4-5H2,(H2,13,15)(H,14,17)(H,18,19)