1-(4-bromanyl-2-methyl-phenyl)-3-methylsulfanyl-piperazine

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-3-methylsulfanyl-piperazine Openeye Name: 1-(4-bromo-2-methyl-phenyl)-3-methylsulfanyl-piperazine CAS Name: 1-(4-bromo-2-methylphenyl)-3-(methylthio)piperazine IUPAC Name: 1-(4-bromo-2-methylphenyl)-3-methylsulfanylpiperazine Traditional Name: 1-(4-bromo-2-methyl-phenyl)-3-(methylthio)piperazine Formula: C12H17BrN2S MolecularWeight: 301.24578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2CCNC(C2)SC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2CCNC(C2)SC

InChI

InChI=1S/C12H17BrN2S/c1-9-7-10(13)3-4-11(9)15-6-5-14-12(8-15)16-2/h3-4,7,12,14H,5-6,8H2,1-2H3