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

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-2-[(2-methylphenyl)methylsulfanyl]-N-(phenylmethyl)pyrimidine-4-carboxamide Openeye Name: N-benzyl-5-(4-chlorophenyl)sulfanyl-2-(o-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-chlorophenyl)thio]-2-[(2-methylphenyl)methylthio]-N-(phenylmethyl)-4-pyrimidinecarboxamide IUPAC Name: N-benzyl-5-(4-chlorophenyl)sulfanyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: N-benzyl-5-[(4-chlorophenyl)thio]-2-[(2-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C26H22ClN3OS2 MolecularWeight: 492.05538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NCC3=CC=CC=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NCC3=CC=CC=C3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H22ClN3OS2/c1-18-7-5-6-10-20(18)17-32-26-29-16-23(33-22-13-11-21(27)12-14-22)24(30-26)25(31)28-15-19-8-3-2-4-9-19/h2-14,16H,15,17H2,1H3,(H,28,31)