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

Systemtic Name: 4-[[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylmethyl]aniline Openeye Name: 4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylmethyl]aniline CAS Name: 4-[[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]methyl]aniline IUPAC Name: 4-[[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylmethyl]aniline Traditional Name: [4-[[[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=C1CCC(CN2C=CN=C2)SCC3=CC=C(C=C3)N)Cl

Isomeric SMILES

C1=CC(=CC=C1CCC(CN2C=CN=C2)SCC3=CC=C(C=C3)N)Cl

InChI

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