3-octyl-5-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-octyl-5-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(4-benzyloxyphenyl)-3-octyl-1,3,4-oxadiazole-2-thione CAS Name: 3-octyl-5-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-octyl-5-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-(4-benzoxyphenyl)-3-octyl-1,3,4-oxadiazole-2-thione Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=S)OC(=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCN1C(=S)OC(=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O2S/c1-2-3-4-5-6-10-17-25-23(28)27-22(24-25)20-13-15-21(16-14-20)26-18-19-11-8-7-9-12-19/h7-9,11-16H,2-6,10,17-18H2,1H3