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

Systemtic Name: 4-[2-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylethyl]aniline Openeye Name: 4-[2-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylethyl]aniline CAS Name: 4-[2-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]ethyl]aniline IUPAC Name: 4-[2-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylethyl]aniline Traditional Name: [4-[2-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]ethyl]phenyl]amine Formula: C21H24ClN3S MolecularWeight: 385.95336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCSC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)N

Isomeric SMILES

C1=CC(=CC=C1CCSC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)N

InChI

InChI=1S/C21H24ClN3S/c22-19-6-1-17(2-7-19)5-10-21(15-25-13-12-24-16-25)26-14-11-18-3-8-20(23)9-4-18/h1-4,6-9,12-13,16,21H,5,10-11,14-15,23H2