4-[3-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylpropyl]aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCSC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)N

Isomeric SMILES

C1=CC(=CC=C1CCCSC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)N

InChI

InChI=1S/C22H26ClN3S/c23-20-8-3-19(4-9-20)7-12-22(16-26-14-13-25-17-26)27-15-1-2-18-5-10-21(24)11-6-18/h3-6,8-11,13-14,17,22H,1-2,7,12,15-16,24H2