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

Systemtic Name: 4-[2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thio]ethyl]amino]benzoate IUPAC Name: 4-[[2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoate Formula: C16H11N4O3S2- MolecularWeight: 371.41354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)CSC2=NN=C(S2)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)CSC2=NN=C(S2)C3=CC=NC=C3

InChI

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