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

Systemtic Name: 2-(4-chlorophenyl)-1-[5-ethylsulfanyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 1-[4-(4-benzyloxyphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]-2-(4-chlorophenyl)ethanamine CAS Name: 2-(4-chlorophenyl)-1-[5-(ethylthio)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-(4-chlorophenyl)-1-[5-ethylsulfanyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine Traditional Name: [1-[4-(4-benzoxyphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]-2-(4-chlorophenyl)ethyl]amine Formula: C25H25ClN4OS MolecularWeight: 465.0102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN4OS/c1-2-32-25-29-28-24(23(27)16-18-8-10-20(26)11-9-18)30(25)21-12-14-22(15-13-21)31-17-19-6-4-3-5-7-19/h3-15,23H,2,16-17,27H2,1H3