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

Systemtic Name: 4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-N-propan-2-yl-aniline Openeye Name: 4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanyl-N-isopropyl-aniline CAS Name: 4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]-N-propan-2-ylaniline IUPAC Name: 4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanyl-N-propan-2-ylaniline Traditional Name: [4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]-isopropyl-amine Formula: C22H26ClN3S MolecularWeight: 399.97994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=C(C=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

Isomeric SMILES

CC(C)NC1=CC=C(C=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

InChI

InChI=1S/C22H26ClN3S/c1-17(2)25-20-8-11-21(12-9-20)27-22(15-26-14-13-24-16-26)10-5-18-3-6-19(23)7-4-18/h3-4,6-9,11-14,16-17,22,25H,5,10,15H2,1-2H3