4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-N,N-diethyl-aniline

Systemtic Name: 4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-N,N-diethyl-aniline Openeye Name: 4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanyl-N,N-diethyl-aniline CAS Name: 4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]-N,N-diethylaniline IUPAC Name: 4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanyl-N,N-diethylaniline Traditional Name: [4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]-diethyl-amine Formula: C23H28ClN3S MolecularWeight: 414.00652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

InChI

InChI=1S/C23H28ClN3S/c1-3-27(4-2)21-10-13-22(14-11-21)28-23(17-26-16-15-25-18-26)12-7-19-5-8-20(24)9-6-19/h5-6,8-11,13-16,18,23H,3-4,7,12,17H2,1-2H3