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

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)pyrimidine-4-carboxamide Openeye Name: 5-(4-chlorophenyl)sulfanyl-2-[(4-fluorophenyl)methylsulfanyl]-N-(o-tolyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-chlorophenyl)thio]-2-[(4-fluorophenyl)methylthio]-N-(2-methylphenyl)-4-pyrimidinecarboxamide IUPAC Name: 5-(4-chlorophenyl)sulfanyl-2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)pyrimidine-4-carboxamide Traditional Name: 5-[(4-chlorophenyl)thio]-2-[(4-fluorobenzyl)thio]-N-(o-tolyl)pyrimidine-4-carboxamide Formula: C25H19ClFN3OS2 MolecularWeight: 496.019263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H19ClFN3OS2/c1-16-4-2-3-5-21(16)29-24(31)23-22(33-20-12-8-18(26)9-13-20)14-28-25(30-23)32-15-17-6-10-19(27)11-7-17/h2-14H,15H2,1H3,(H,29,31)