5-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-chlorophenyl)thio]-N-(2-fluorophenyl)-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-[(4-chlorophenyl)thio]-N-(2-fluorophenyl)-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C25H19ClFN3OS2 MolecularWeight: 496.019263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3F)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3F)SC4=CC=C(C=C4)Cl

InChI

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