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

Systemtic Name: 3-nitro-5-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-nitro-5-[[2-[[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-nitro-5-[[1-oxo-2-[[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]benzoic acid IUPAC Name: 3-nitro-5-[[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-nitro-5-[[2-[[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoic acid Formula: C16H11N5O5S2 MolecularWeight: 417.41904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(S2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(S2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O5S2/c22-13(18-11-4-10(15(23)24)5-12(6-11)21(25)26)8-27-16-20-19-14(28-16)9-2-1-3-17-7-9/h1-7H,8H2,(H,18,22)(H,23,24)