4-[(4-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-2-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-[(4-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[(4-chlorophenyl)methylthio]-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-[(4-chlorobenzyl)thio]-6-(4-methoxyphenyl)-2-phenyl-pyrimidine-5-carbonitrile Formula: C25H18ClN3OS MolecularWeight: 443.94792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C25H18ClN3OS/c1-30-21-13-9-18(10-14-21)23-22(15-27)25(31-16-17-7-11-20(26)12-8-17)29-24(28-23)19-5-3-2-4-6-19/h2-14H,16H2,1H3