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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: 2-[(4-fluorophenyl)methylthio]-N-(4-methoxyphenyl)-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-(4-methoxyphenyl)-5-(phenylthio)pyrimidine-4-carboxamide Formula: C25H20FN3O2S2 MolecularWeight: 477.573603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H20FN3O2S2/c1-31-20-13-11-19(12-14-20)28-24(30)23-22(33-21-5-3-2-4-6-21)15-27-25(29-23)32-16-17-7-9-18(26)10-8-17/h2-15H,16H2,1H3,(H,28,30)