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

Systemtic Name: N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylthio]-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: N-(4-ethylphenyl)-2-[(4-fluorobenzyl)thio]-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C27H24FN3OS2 MolecularWeight: 489.627363

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)C)SCC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)C)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H24FN3OS2/c1-3-19-8-12-22(13-9-19)30-26(32)25-24(34-23-14-4-18(2)5-15-23)16-29-27(31-25)33-17-20-6-10-21(28)11-7-20/h4-16H,3,17H2,1-2H3,(H,30,32)