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

Systemtic Name: 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate Openeye Name: 4-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 4-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c1-15-5-7-16(8-6-15)19-22-23-21(27-19)28-14-4-3-13-26-20(24)17-9-11-18(25-2)12-10-17/h5-12H,13-14H2,1-2H3