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

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[4-(4-benzyloxyphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-[(4-tert-butylphenyl)methylthio]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[4-(4-benzoxyphenyl)-5-[(4-tert-butylbenzyl)thio]-1,2,4-triazol-3-yl]butylamine Formula: C30H36N4OS MolecularWeight: 500.69804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(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/C30H36N4OS/c1-5-9-27(31)28-32-33-29(36-21-23-12-14-24(15-13-23)30(2,3)4)34(28)25-16-18-26(19-17-25)35-20-22-10-7-6-8-11-22/h6-8,10-19,27H,5,9,20-21,31H2,1-4H3