5-(4-tert-butylphenyl)-3-[[4-(phenylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(4-tert-butylphenyl)-3-[[4-(phenylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-benzyl-1-piperidyl)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(4-tert-butylphenyl)-3-[[4-(phenylmethyl)-1-piperidinyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-benzylpiperidino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thione Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)O2)CN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)O2)CN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N3OS/c1-25(2,3)22-11-9-21(10-12-22)23-26-28(24(30)29-23)18-27-15-13-20(14-16-27)17-19-7-5-4-6-8-19/h4-12,20H,13-18H2,1-3H3