2-[(4-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: 2-[(4-chlorophenyl)methylthio]-N-[(4-methoxyphenyl)methyl]-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(4-chlorobenzyl)thio]-N-p-anisyl-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C27H24ClN3O2S2 MolecularWeight: 522.08136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NCC3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NCC3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H24ClN3O2S2/c1-18-3-13-23(14-4-18)35-24-16-30-27(34-17-20-5-9-21(28)10-6-20)31-25(24)26(32)29-15-19-7-11-22(33-2)12-8-19/h3-14,16H,15,17H2,1-2H3,(H,29,32)