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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=CC=C4F

InChI

InChI=1S/C25H20FN3OS2/c26-21-14-8-7-11-19(21)17-31-25-28-16-22(32-20-12-5-2-6-13-20)23(29-25)24(30)27-15-18-9-3-1-4-10-18/h1-14,16H,15,17H2,(H,27,30)