2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(m-tolyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: 2-[(4-fluorophenyl)methylthio]-N-(3-methylphenyl)-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-(m-tolyl)-5-(phenylthio)pyrimidine-4-carboxamide Formula: C25H20FN3OS2 MolecularWeight: 461.574203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=C(C=C4)F

InChI

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