2-[3-bromanyl-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[3-bromanyl-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[3-bromo-2-(1-naphthylsulfanylmethyl)phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[3-bromo-2-[(1-naphthalenylthio)methyl]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[3-bromo-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[3-bromo-2-[(1-naphthylthio)methyl]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C21H19BrN2S MolecularWeight: 411.35796

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=C(C(=CC=C2)Br)CSC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CNC(=NC1)C2=C(C(=CC=C2)Br)CSC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H19BrN2S/c22-19-10-4-9-17(21-23-12-5-13-24-21)18(19)14-25-20-11-3-7-15-6-1-2-8-16(15)20/h1-4,6-11H,5,12-14H2,(H,23,24)