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

Systemtic Name: 3-[2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoic acid Formula: C16H12N4O3S2 MolecularWeight: 372.42148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(S2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(S2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C16H12N4O3S2/c21-13(18-12-3-1-2-11(8-12)15(22)23)9-24-16-20-19-14(25-16)10-4-6-17-7-5-10/h1-8H,9H2,(H,18,21)(H,22,23)