1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]propan-1-amine

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[4-(4-benzyloxyphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-[(4-tert-butylphenyl)methylthio]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[4-(4-benzoxyphenyl)-5-[(4-tert-butylbenzyl)thio]-1,2,4-triazol-3-yl]propylamine Formula: C29H34N4OS MolecularWeight: 486.67146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)SCC4=CC=C(C=C4)C(C)(C)C)N

Isomeric SMILES

CCC(C1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)SCC4=CC=C(C=C4)C(C)(C)C)N

InChI

InChI=1S/C29H34N4OS/c1-5-26(30)27-31-32-28(35-20-22-11-13-23(14-12-22)29(2,3)4)33(27)24-15-17-25(18-16-24)34-19-21-9-7-6-8-10-21/h6-18,26H,5,19-20,30H2,1-4H3