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

Systemtic Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl benzoate Openeye Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl benzoate CAS Name: benzoic acid 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl benzoate Traditional Name: benzoic acid 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C19H13ClN2O3S MolecularWeight: 384.83612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN2O3S/c20-16-10-6-9-15(13-16)17-21-22-19(25-17)26-12-5-4-11-24-18(23)14-7-2-1-3-8-14/h1-3,6-10,13H,11-12H2