2-[(3-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyrimidin-4-olate

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-(2-furyl)pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-(2-furanyl)-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-6-(2-furyl)pyrimidin-4-olate Formula: C15H10ClN2O2S- MolecularWeight: 317.7701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSC2=NC(=CC(=N2)[O-])C3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSC2=NC(=CC(=N2)[O-])C3=CC=CO3

InChI

InChI=1S/C15H11ClN2O2S/c16-11-4-1-3-10(7-11)9-21-15-17-12(8-14(19)18-15)13-5-2-6-20-13/h1-8H,9H2,(H,17,18,19)/p-1