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

Systemtic Name: 3-iodanyl-1-(4-methylsulfanyl-2-phenyl-phenyl)piperazine Openeye Name: 3-iodo-1-(4-methylsulfanyl-2-phenyl-phenyl)piperazine CAS Name: 3-iodo-1-[4-(methylthio)-2-phenylphenyl]piperazine IUPAC Name: 3-iodo-1-(4-methylsulfanyl-2-phenylphenyl)piperazine Traditional Name: 3-iodo-1-[4-(methylthio)-2-phenyl-phenyl]piperazine Formula: C17H19IN2S MolecularWeight: 410.31563

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)N2CCNC(C2)I)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC(=C(C=C1)N2CCNC(C2)I)C3=CC=CC=C3

InChI

InChI=1S/C17H19IN2S/c1-21-14-7-8-16(20-10-9-19-17(18)12-20)15(11-14)13-5-3-2-4-6-13/h2-8,11,17,19H,9-10,12H2,1H3