2-[(2-bromophenyl)methylsulfanyl]-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(2-bromophenyl)methylsulfanyl]-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(2-bromophenyl)methylsulfanyl]-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]ethanone CAS Name: 2-[(2-bromophenyl)methylthio]-1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2-bromophenyl)methylsulfanyl]-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2-bromobenzyl)thio]-1-[4-(5-chloro-2-methyl-phenyl)piperazino]ethanone Formula: C20H22BrClN2OS MolecularWeight: 453.82348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CSCC3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CSCC3=CC=CC=C3Br

InChI

InChI=1S/C20H22BrClN2OS/c1-15-6-7-17(22)12-19(15)23-8-10-24(11-9-23)20(25)14-26-13-16-4-2-3-5-18(16)21/h2-7,12H,8-11,13-14H2,1H3