2-[2,5-bis(thiolan-1-ium-1-ylmethyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[2,5-bis(thiolan-1-ium-1-ylmethyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[2,5-bis(tetrahydrothiophen-1-ium-1-ylmethyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole CAS Name: 2-[2,5-bis(1-thiolan-1-iumylmethyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[2,5-bis(thiolan-1-ium-1-ylmethyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[2,5-bis(tetrahydrothiophen-1-ium-1-ylmethyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole Formula: C28H36N2OS2+2 MolecularWeight: 480.72824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=C(C=CC(=C3)C[S+]4CCCC4)C[S+]5CCCC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=C(C=CC(=C3)C[S+]4CCCC4)C[S+]5CCCC5

InChI

InChI=1S/C28H36N2OS2/c1-28(2,3)24-12-10-22(11-13-24)26-29-30-27(31-26)25-18-21(19-32-14-4-5-15-32)8-9-23(25)20-33-16-6-7-17-33/h8-13,18H,4-7,14-17,19-20H2,1-3H3/q+2