N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-2-methoxy-phenyl]ethanamide

Systemtic Name: N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-2-methoxy-phenyl]ethanamide Openeye Name: N-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanyl-2-methoxy-phenyl]acetamide CAS Name: N-[4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]-2-methoxyphenyl]acetamide IUPAC Name: N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanyl-2-methoxyphenyl]acetamide Traditional Name: N-[4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]-2-methoxy-phenyl]acetamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O2S/c1-16(27)25-21-10-9-19(13-22(21)28-2)29-20(14-26-12-11-24-15-26)8-5-17-3-6-18(23)7-4-17/h3-4,6-7,9-13,15,20H,5,8,14H2,1-2H3,(H,25,27)