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

Systemtic Name: 4-[3-[4-(2,4-dichlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylpropyl]aniline Openeye Name: 4-[3-[3-(2,4-dichlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylpropyl]aniline CAS Name: 4-[3-[[4-(2,4-dichlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]propyl]aniline IUPAC Name: 4-[3-[4-(2,4-dichlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylpropyl]aniline Traditional Name: [4-[3-[[3-(2,4-dichlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]propyl]phenyl]amine Formula: C22H25Cl2N3S MolecularWeight: 434.425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25Cl2N3S/c23-19-7-5-18(22(24)14-19)6-10-21(15-27-12-11-26-16-27)28-13-1-2-17-3-8-20(25)9-4-17/h3-5,7-9,11-12,14,16,21H,1-2,6,10,13,15,25H2