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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3F)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3F)SC4=CC=CC=C4

InChI

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