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

Systemtic Name: 4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-N-hexyl-N-methyl-aniline Openeye Name: 4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanyl-N-hexyl-N-methyl-aniline CAS Name: 4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]-N-hexyl-N-methylaniline IUPAC Name: 4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanyl-N-hexyl-N-methylaniline Traditional Name: [4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]-hexyl-methyl-amine Formula: C26H34ClN3S MolecularWeight: 456.08626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34ClN3S/c1-3-4-5-6-18-29(2)24-12-15-25(16-13-24)31-26(20-30-19-17-28-21-30)14-9-22-7-10-23(27)11-8-22/h7-8,10-13,15-17,19,21,26H,3-6,9,14,18,20H2,1-2H3