4-(4-methoxyphenyl)-6-oxidanylidene-1-phenethyl-2-phenethylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methoxyphenyl)-6-oxidanylidene-1-phenethyl-2-phenethylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-methoxyphenyl)-6-oxo-1-phenethyl-2-phenethylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-methoxyphenyl)-6-oxo-1-phenethyl-2-(phenethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methoxyphenyl)-6-oxo-1-phenethyl-2-phenethylsulfanylpyrimidine-5-carbonitrile Traditional Name: 6-keto-4-(4-methoxyphenyl)-1-phenethyl-2-(phenethylthio)pyrimidine-5-carbonitrile Formula: C28H25N3O2S MolecularWeight: 467.582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)SCCC3=CC=CC=C3)CCC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)SCCC3=CC=CC=C3)CCC4=CC=CC=C4)C#N

InChI

InChI=1S/C28H25N3O2S/c1-33-24-14-12-23(13-15-24)26-25(20-29)27(32)31(18-16-21-8-4-2-5-9-21)28(30-26)34-19-17-22-10-6-3-7-11-22/h2-15H,16-19H2,1H3