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

Systemtic Name: 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-chloranylbenzoate Openeye Name: 4-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 4-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C20H15ClN2O3S MolecularWeight: 398.8627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H15ClN2O3S/c1-14-4-6-15(7-5-14)18-22-23-20(26-18)27-13-3-2-12-25-19(24)16-8-10-17(21)11-9-16/h4-11H,12-13H2,1H3