(1S)-1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine

Systemtic Name: (1S)-1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[5-[(4-tert-butylphenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[5-[(4-tert-butylbenzyl)thio]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C29H34N4S MolecularWeight: 470.67206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)C(CC4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C29H34N4S/c1-29(2,3)25-16-14-24(15-17-25)21-34-28-32-31-27(26(30)20-23-12-8-5-9-13-23)33(28)19-18-22-10-6-4-7-11-22/h4-17,26H,18-21,30H2,1-3H3/t26-/m0/s1