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

Systemtic Name: N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methylthio]-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(2-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=CC=C4F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)C)SCC4=CC=CC=C4F

InChI

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