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

Systemtic Name: 4-[2-[4-(2,4-dichlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylethyl]aniline Openeye Name: 4-[2-[3-(2,4-dichlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylethyl]aniline CAS Name: 4-[2-[[4-(2,4-dichlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]ethyl]aniline IUPAC Name: 4-[2-[4-(2,4-dichlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylethyl]aniline Traditional Name: [4-[2-[[3-(2,4-dichlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]ethyl]phenyl]amine Formula: C21H23Cl2N3S MolecularWeight: 420.39842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2N3S/c22-18-5-3-17(21(23)13-18)4-8-20(14-26-11-10-25-15-26)27-12-9-16-1-6-19(24)7-2-16/h1-3,5-7,10-11,13,15,20H,4,8-9,12,14,24H2