2-(2-chloranyl-5-methylsulfanyl-phenyl)-1-[3-(2-fluoranylethylsulfanyl)phenyl]-1-methyl-guanidine

Systemtic Name: 2-(2-chloranyl-5-methylsulfanyl-phenyl)-1-[3-(2-fluoranylethylsulfanyl)phenyl]-1-methyl-guanidine Openeye Name: 2-(2-chloro-5-methylsulfanyl-phenyl)-1-[3-(2-fluoranylethylsulfanyl)phenyl]-1-methyl-guanidine CAS Name: 2-[2-chloro-5-(methylthio)phenyl]-1-[3-(2-fluoranylethylthio)phenyl]-1-methylguanidine IUPAC Name: 2-(2-chloro-5-methylsulfanylphenyl)-1-[3-(2-fluoranylethylsulfanyl)phenyl]-1-methylguanidine Traditional Name: 2-[2-chloro-5-(methylthio)phenyl]-1-[3-(2-fluoranylethylthio)phenyl]-1-methyl-guanidine Formula: C17H19ClFN3S2 MolecularWeight: 382.936798

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC=C1)SCCF)C(=NC2=C(C=CC(=C2)SC)Cl)N

Isomeric SMILES

CN(C1=CC(=CC=C1)SCC[18F])C(=NC2=C(C=CC(=C2)SC)Cl)N

InChI

InChI=1S/C17H19ClFN3S2/c1-22(12-4-3-5-14(10-12)24-9-8-19)17(20)21-16-11-13(23-2)6-7-15(16)18/h3-7,10-11H,8-9H2,1-2H3,(H2,20,21)/i19-1