2-[2-[(3-bromophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[2-[(3-bromophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(3-bromophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(3-bromophenyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(3-bromophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

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