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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-N-phenyl-pyrimidine-4-carboxamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-phenyl-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: 2-[(4-chlorophenyl)methylthio]-5-[(4-methylphenyl)thio]-N-phenyl-4-pyrimidinecarboxamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-N-phenylpyrimidine-4-carboxamide Traditional Name: 2-[(4-chlorobenzyl)thio]-N-phenyl-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C25H20ClN3OS2 MolecularWeight: 478.0288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClN3OS2/c1-17-7-13-21(14-8-17)32-22-15-27-25(31-16-18-9-11-19(26)12-10-18)29-23(22)24(30)28-20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,28,30)