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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: 2-[(4-chlorophenyl)methylthio]-N-(4-fluorophenyl)-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(4-chlorobenzyl)thio]-N-(4-fluorophenyl)-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C25H19ClFN3OS2 MolecularWeight: 496.019263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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