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

Systemtic Name: N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylthio]-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-p-phenetyl-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C27H24FN3O2S2 MolecularWeight: 505.626763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)C)SCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)C)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H24FN3O2S2/c1-3-33-22-12-10-21(11-13-22)30-26(32)25-24(35-23-14-4-18(2)5-15-23)16-29-27(31-25)34-17-19-6-8-20(28)9-7-19/h4-16H,3,17H2,1-2H3,(H,30,32)