2-[2-chloranyl-5-(fluoranylmethylsulfanyl)phenyl]-1-methyl-1-(3-methylsulfanylphenyl)guanidine

Systemtic Name: 2-[2-chloranyl-5-(fluoranylmethylsulfanyl)phenyl]-1-methyl-1-(3-methylsulfanylphenyl)guanidine Openeye Name: 2-[2-chloro-5-(fluoranylmethylsulfanyl)phenyl]-1-methyl-1-(3-methylsulfanylphenyl)guanidine CAS Name: 2-[2-chloro-5-(fluoranylmethylthio)phenyl]-1-methyl-1-[3-(methylthio)phenyl]guanidine IUPAC Name: 2-[2-chloro-5-(fluoranylmethylsulfanyl)phenyl]-1-methyl-1-(3-methylsulfanylphenyl)guanidine Traditional Name: 2-[2-chloro-5-(fluoranylmethylthio)phenyl]-1-methyl-1-[3-(methylthio)phenyl]guanidine Formula: C16H17ClFN3S2 MolecularWeight: 368.910218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClFN3S2/c1-21(11-4-3-5-12(8-11)22-2)16(19)20-15-9-13(23-10-18)6-7-14(15)17/h3-9H,10H2,1-2H3,(H2,19,20)/i18-1