2-[3-(2-chloranylphenoxy)propylsulfanyl]-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[3-(2-chloranylphenoxy)propylsulfanyl]-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[3-(2-chlorophenoxy)propylsulfanyl]-6-phenyl-pyrimidin-4-olate CAS Name: 2-[3-(2-chlorophenoxy)propylthio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[3-(2-chlorophenoxy)propylsulfanyl]-6-phenylpyrimidin-4-olate Traditional Name: 2-[3-(2-chlorophenoxy)propylthio]-6-phenyl-pyrimidin-4-olate Formula: C19H16ClN2O2S- MolecularWeight: 371.86054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCCOC3=CC=CC=C3Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCCOC3=CC=CC=C3Cl)[O-]

InChI

InChI=1S/C19H17ClN2O2S/c20-15-9-4-5-10-17(15)24-11-6-12-25-19-21-16(13-18(23)22-19)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H,21,22,23)/p-1