2-(1,3-benzodioxol-5-yl)-5-[(3-phenoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-phenoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-phenoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-phenoxyphenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-phenoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-phenoxybenzyl)thio]-1,3,4-oxadiazole Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C22H16N2O4S/c1-2-6-17(7-3-1)27-18-8-4-5-15(11-18)13-29-22-24-23-21(28-22)16-9-10-19-20(12-16)26-14-25-19/h1-12H,13-14H2