2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-fluoranyl-phenyl]-1,3-diazinane

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-fluoranyl-phenyl]-1,3-diazinane Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-5-fluoro-phenyl]hexahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]-5-fluorophenyl]-1,3-diazinane IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-5-fluorophenyl]-1,3-diazinane Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]-5-fluoro-phenyl]hexahydropyrimidine Formula: C18H20BrFN2OS MolecularWeight: 411.331603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=C(C=C(C=C2)F)C3NCCCN3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=C(C=C(C=C2)F)C3NCCCN3

InChI

InChI=1S/C18H20BrFN2OS/c1-23-16-5-3-13(19)9-12(16)11-24-17-6-4-14(20)10-15(17)18-21-7-2-8-22-18/h3-6,9-10,18,21-22H,2,7-8,11H2,1H3