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

Systemtic Name: 3-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C11H10N4O3S2 MolecularWeight: 310.3521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(S2)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(S2)N)C(=O)O

InChI

InChI=1S/C11H10N4O3S2/c12-10-14-15-11(20-10)19-5-8(16)13-7-3-1-2-6(4-7)9(17)18/h1-4H,5H2,(H2,12,14)(H,13,16)(H,17,18)