(1S)-1-[5-ethylsulfanyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine

Systemtic Name: (1S)-1-[5-ethylsulfanyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[4-(4-benzyloxyphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[5-(ethylthio)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[5-ethylsulfanyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[4-(4-benzoxyphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C(CC4=CC=CC=C4)N

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C25H26N4OS/c1-2-31-25-28-27-24(23(26)17-19-9-5-3-6-10-19)29(25)21-13-15-22(16-14-21)30-18-20-11-7-4-8-12-20/h3-16,23H,2,17-18,26H2,1H3/t23-/m0/s1