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

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: 2-[(2-fluorophenyl)methylthio]-N-(4-methoxyphenyl)-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(2-fluorobenzyl)thio]-N-(4-methoxyphenyl)-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C26H22FN3O2S2 MolecularWeight: 491.600183

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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)OC)SCC4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=C(C=C3)OC)SCC4=CC=CC=C4F

InChI

InChI=1S/C26H22FN3O2S2/c1-17-7-13-21(14-8-17)34-23-15-28-26(33-16-18-5-3-4-6-22(18)27)30-24(23)25(31)29-19-9-11-20(32-2)12-10-19/h3-15H,16H2,1-2H3,(H,29,31)