2-[2-[(5-bromanyl-2-methyl-phenyl)methylsulfanyl]-5-fluoranyl-phenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[2-[(5-bromanyl-2-methyl-phenyl)methylsulfanyl]-5-fluoranyl-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(5-bromo-2-methyl-phenyl)methylsulfanyl]-5-fluoro-phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methylphenyl)methylthio]-5-fluorophenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(5-bromo-2-methylphenyl)methylsulfanyl]-5-fluorophenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(5-bromo-2-methyl-benzyl)thio]-5-fluoro-phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C18H18BrFN2S MolecularWeight: 393.316323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)CSC2=C(C=C(C=C2)F)C3=NCCCN3

Isomeric SMILES

CC1=C(C=C(C=C1)Br)CSC2=C(C=C(C=C2)F)C3=NCCCN3

InChI

InChI=1S/C18H18BrFN2S/c1-12-3-4-14(19)9-13(12)11-23-17-6-5-15(20)10-16(17)18-21-7-2-8-22-18/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,22)