2-[(3-bromophenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 2-[(3-bromophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[(3-bromobenzyl)thio]pyrimidin-4-olate Formula: C11H8BrN2OS- MolecularWeight: 296.16302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C11H9BrN2OS/c12-9-3-1-2-8(6-9)7-16-11-13-5-4-10(15)14-11/h1-6H,7H2,(H,13,14,15)/p-1