1-phenyl-4-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-1-one

Systemtic Name: 1-phenyl-4-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-1-one Openeye Name: 1-phenyl-4-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-1-one CAS Name: 1-phenyl-4-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-butanone IUPAC Name: 1-phenyl-4-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-1-one Traditional Name: 1-phenyl-4-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]butan-1-one Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S/c1-25-17-12-15(13-18(26-2)19(17)27-3)20-22-23-21(28-20)29-11-7-10-16(24)14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3