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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(p-tolyl)-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: 2-[(4-fluorophenyl)methylthio]-N-(4-methylphenyl)-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-(p-tolyl)-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C26H22FN3OS2 MolecularWeight: 475.600783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)C)SCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)C)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H22FN3OS2/c1-17-3-11-21(12-4-17)29-25(31)24-23(33-22-13-5-18(2)6-14-22)15-28-26(30-24)32-16-19-7-9-20(27)10-8-19/h3-15H,16H2,1-2H3,(H,29,31)