6-(4-methoxyphenyl)-4-oxidanylidene-2-[(4-phenylphenyl)methylsulfanyl]-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-4-oxidanylidene-2-[(4-phenylphenyl)methylsulfanyl]-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-4-oxo-2-[(4-phenylphenyl)methylsulfanyl]-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-4-oxo-2-[(4-phenylphenyl)methylthio]-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methoxyphenyl)-4-oxo-2-[(4-phenylphenyl)methylsulfanyl]-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxyphenyl)-2-[(4-phenylbenzyl)thio]-1H-pyrimidine-5-carbonitrile Formula: C25H19N3O2S MolecularWeight: 425.50226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H19N3O2S/c1-30-21-13-11-20(12-14-21)23-22(15-26)24(29)28-25(27-23)31-16-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14H,16H2,1H3,(H,27,28,29)