2-[(4-cyanophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(4-cyanophenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[(4-cyanobenzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C13H10N3OS- MolecularWeight: 256.303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C#N)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C#N)[O-]

InChI

InChI=1S/C13H11N3OS/c1-9-6-12(17)16-13(15-9)18-8-11-4-2-10(7-14)3-5-11/h2-6H,8H2,1H3,(H,15,16,17)/p-1