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

Systemtic Name: N-[4-[2-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylethyl]phenyl]ethanamide Openeye Name: N-[4-[2-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylethyl]phenyl]acetamide CAS Name: N-[4-[2-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]ethyl]phenyl]acetamide IUPAC Name: N-[4-[2-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylethyl]phenyl]acetamide Traditional Name: N-[4-[2-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]ethyl]phenyl]acetamide Formula: C23H26ClN3OS MolecularWeight: 427.99004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3OS/c1-18(28)26-22-9-4-20(5-10-22)12-15-29-23(16-27-14-13-25-17-27)11-6-19-2-7-21(24)8-3-19/h2-5,7-10,13-14,17,23H,6,11-12,15-16H2,1H3,(H,26,28)