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

Systemtic Name: 1-(4-bromanyl-2-ethyl-phenyl)-3-methylsulfanyl-piperazine Openeye Name: 1-(4-bromo-2-ethyl-phenyl)-3-methylsulfanyl-piperazine CAS Name: 1-(4-bromo-2-ethylphenyl)-3-(methylthio)piperazine IUPAC Name: 1-(4-bromo-2-ethylphenyl)-3-methylsulfanylpiperazine Traditional Name: 1-(4-bromo-2-ethyl-phenyl)-3-(methylthio)piperazine Formula: C13H19BrN2S MolecularWeight: 315.27236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)N2CCNC(C2)SC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)N2CCNC(C2)SC

InChI

InChI=1S/C13H19BrN2S/c1-3-10-8-11(14)4-5-12(10)16-7-6-15-13(9-16)17-2/h4-5,8,13,15H,3,6-7,9H2,1-2H3