4-(4-methoxyphenyl)-6-methylsulfanyl-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methoxyphenyl)-6-methylsulfanyl-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(4-methoxyphenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-methoxyphenyl)-6-(methylthio)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-(4-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-(4-methoxyphenyl)-6-(methylthio)pyrimidine-5-carbonitrile Formula: C20H17N3OS2 MolecularWeight: 379.49848

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)SC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)SC)C#N

InChI

InChI=1S/C20H17N3OS2/c1-24-16-10-8-15(9-11-16)18-17(12-21)19(25-2)23-20(22-18)26-13-14-6-4-3-5-7-14/h3-11H,13H2,1-2H3