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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(m-tolyl)-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: 2-[(4-fluorophenyl)methylthio]-N-(3-methylphenyl)-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-(m-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)SC2=CN=C(N=C2C(=O)NC3=CC=CC(=C3)C)SCC4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

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