2-[2-[(4-bromophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[2-[(4-bromophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(4-bromophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(4-bromophenyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(4-bromophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(4-bromobenzyl)thio]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C17H17BrN2S MolecularWeight: 361.29928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=CC=CC=C2SCC3=CC=C(C=C3)Br

Isomeric SMILES

C1CNC(=NC1)C2=CC=CC=C2SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H17BrN2S/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)17-19-10-3-11-20-17/h1-2,4-9H,3,10-12H2,(H,19,20)