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

Systemtic Name: 1-(2-ethyl-4-methylsulfanyl-phenyl)-3-iodanyl-piperazine Openeye Name: 1-(2-ethyl-4-methylsulfanyl-phenyl)-3-iodo-piperazine CAS Name: 1-[2-ethyl-4-(methylthio)phenyl]-3-iodopiperazine IUPAC Name: 1-(2-ethyl-4-methylsulfanylphenyl)-3-iodopiperazine Traditional Name: 1-[2-ethyl-4-(methylthio)phenyl]-3-iodo-piperazine Formula: C13H19IN2S MolecularWeight: 362.27283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19IN2S/c1-3-10-8-11(17-2)4-5-12(10)16-7-6-15-13(14)9-16/h4-5,8,13,15H,3,6-7,9H2,1-2H3