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

Systemtic Name: 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl benzoate Openeye Name: 4-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl benzoate CAS Name: benzoic acid 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester IUPAC Name: 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl benzoate Traditional Name: benzoic acid 4-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=NC=C3

InChI

InChI=1S/C18H13N3O3S/c22-17(15-6-2-1-3-7-15)23-12-4-5-13-25-18-21-20-16(24-18)14-8-10-19-11-9-14/h1-3,6-11H,12-13H2