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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-N-phenyl-pyrimidine-4-carboxamide Openeye Name: N-phenyl-2-(p-tolylmethylsulfanyl)-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: 2-[(4-methylphenyl)methylthio]-5-[(4-methylphenyl)thio]-N-phenyl-4-pyrimidinecarboxamide IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-N-phenylpyrimidine-4-carboxamide Traditional Name: 2-[(4-methylbenzyl)thio]-N-phenyl-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C26H23N3OS2 MolecularWeight: 457.61032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3)SC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3)SC4=CC=C(C=C4)C

InChI

InChI=1S/C26H23N3OS2/c1-18-8-12-20(13-9-18)17-31-26-27-16-23(32-22-14-10-19(2)11-15-22)24(29-26)25(30)28-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,28,30)