5-cyano-6-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-thiolate

Systemtic Name: 5-cyano-6-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-thiolate Openeye Name: 2-benzylsulfanyl-5-cyano-6-(4-methoxyphenyl)pyrimidine-4-thiolate CAS Name: 5-cyano-6-(4-methoxyphenyl)-2-(phenylmethylthio)-4-pyrimidinethiolate IUPAC Name: 2-benzylsulfanyl-5-cyano-6-(4-methoxyphenyl)pyrimidine-4-thiolate Traditional Name: 2-(benzylthio)-5-cyano-6-(4-methoxyphenyl)pyrimidine-4-thiolate Formula: C19H14N3OS2- MolecularWeight: 364.46396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)[S-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)[S-])C#N

InChI

InChI=1S/C19H15N3OS2/c1-23-15-9-7-14(8-10-15)17-16(11-20)18(24)22-19(21-17)25-12-13-5-3-2-4-6-13/h2-10H,12H2,1H3,(H,21,22,24)/p-1