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

Systemtic Name: 4-[[4-(2,4-dichlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylmethyl]aniline Openeye Name: 4-[[3-(2,4-dichlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylmethyl]aniline CAS Name: 4-[[[4-(2,4-dichlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]methyl]aniline IUPAC Name: 4-[[4-(2,4-dichlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylmethyl]aniline Traditional Name: [4-[[[3-(2,4-dichlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]methyl]phenyl]amine Formula: C20H21Cl2N3S MolecularWeight: 406.37184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(CCC2=C(C=C(C=C2)Cl)Cl)CN3C=CN=C3)N

Isomeric SMILES

C1=CC(=CC=C1CSC(CCC2=C(C=C(C=C2)Cl)Cl)CN3C=CN=C3)N

InChI

InChI=1S/C20H21Cl2N3S/c21-17-5-3-16(20(22)11-17)4-8-19(12-25-10-9-24-14-25)26-13-15-1-6-18(23)7-2-15/h1-3,5-7,9-11,14,19H,4,8,12-13,23H2