3-[[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylmethyl]aniline

Systemtic Name: 3-[[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylmethyl]aniline Openeye Name: 3-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylmethyl]aniline CAS Name: 3-[[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]methyl]aniline IUPAC Name: 3-[[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylmethyl]aniline Traditional Name: [3-[[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]methyl]phenyl]amine Formula: C20H22ClN3S MolecularWeight: 371.92678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3S/c21-18-7-4-16(5-8-18)6-9-20(13-24-11-10-23-15-24)25-14-17-2-1-3-19(22)12-17/h1-5,7-8,10-12,15,20H,6,9,13-14,22H2