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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-N-phenyl-pyrimidine-4-carboxamide Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-phenyl-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: 2-[(4-fluorophenyl)methylthio]-5-[(4-methylphenyl)thio]-N-phenyl-4-pyrimidinecarboxamide IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-N-phenylpyrimidine-4-carboxamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-phenyl-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C25H20FN3OS2 MolecularWeight: 461.574203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=CC=C3)SCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=CC=C3)SCC4=CC=C(C=C4)F

InChI

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