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

Systemtic Name: (1S)-1-[5-ethylsulfonyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[4-(4-benzyloxyphenyl)-5-ethylsulfonyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[5-ethylsulfonyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[5-ethylsulfonyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[4-(4-benzoxyphenyl)-5-esyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C(CC4=CC=CC=C4)N

Isomeric SMILES

CCS(=O)(=O)C1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C25H26N4O3S/c1-2-33(30,31)25-28-27-24(23(26)17-19-9-5-3-6-10-19)29(25)21-13-15-22(16-14-21)32-18-20-11-7-4-8-12-20/h3-16,23H,2,17-18,26H2,1H3/t23-/m0/s1