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

Systemtic Name: N-(2-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(2-fluorophenyl)-5-phenylsulfanyl-2-(p-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(2-fluorophenyl)-2-[(4-methylphenyl)methylthio]-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(2-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(2-fluorophenyl)-2-[(4-methylbenzyl)thio]-5-(phenylthio)pyrimidine-4-carboxamide Formula: C25H20FN3OS2 MolecularWeight: 461.574203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3F)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3F)SC4=CC=CC=C4

InChI

InChI=1S/C25H20FN3OS2/c1-17-11-13-18(14-12-17)16-31-25-27-15-22(32-19-7-3-2-4-8-19)23(29-25)24(30)28-21-10-6-5-9-20(21)26/h2-15H,16H2,1H3,(H,28,30)