5-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-(4-chlorophenyl)sulfanyl-N-(p-tolyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-chlorophenyl)thio]-N-(4-methylphenyl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-[(4-chlorophenyl)thio]-N-(p-tolyl)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)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)Cl)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)Cl)SCC4=CC=CC=C4

InChI

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