4-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]piperazin-1-amine

Systemtic Name: 4-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]piperazin-1-amine Openeye Name: 4-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]piperazin-1-amine CAS Name: 4-[4-[[1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethyl]thio]phenyl]-1-piperazinamine IUPAC Name: 4-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]sulfanylphenyl]piperazin-1-amine Traditional Name: [4-[4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]thio]phenyl]piperazino]amine Formula: C21H23Cl2N5S MolecularWeight: 448.41182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)SC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl)N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)SC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl)N

InChI

InChI=1S/C21H23Cl2N5S/c22-16-1-6-19(20(23)13-16)21(14-26-8-7-25-15-26)29-18-4-2-17(3-5-18)27-9-11-28(24)12-10-27/h1-8,13,15,21H,9-12,14,24H2