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

Systemtic Name: 4-chloranyl-2-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4-chloro-2-[[2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-chloro-2-[[1-oxo-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]ethyl]amino]benzoate IUPAC Name: 4-chloro-2-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-chloro-2-[[2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]benzoate Formula: C16H10ClN4O4S- MolecularWeight: 389.793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3)C(=O)[O-]

InChI

InChI=1S/C16H11ClN4O4S/c17-10-1-2-11(15(23)24)12(7-10)19-13(22)8-26-16-21-20-14(25-16)9-3-5-18-6-4-9/h1-7H,8H2,(H,19,22)(H,23,24)/p-1