N-[4-(2-adamantyl)phenyl]-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[4-(2-adamantyl)phenyl]-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethanamide Openeye Name: N-[4-(2-adamantyl)phenyl]-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]acetamide CAS Name: N-[4-(2-adamantyl)phenyl]-2-[(2-chloro-6-fluorophenyl)methylthio]acetamide IUPAC Name: N-[4-(2-adamantyl)phenyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide Traditional Name: N-[4-(2-adamantyl)phenyl]-2-[(2-chloro-6-fluoro-benzyl)thio]acetamide Formula: C25H27ClFNOS MolecularWeight: 444.004383

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C4=CC=C(C=C4)NC(=O)CSCC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C4=CC=C(C=C4)NC(=O)CSCC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C25H27ClFNOS/c26-22-2-1-3-23(27)21(22)13-30-14-24(29)28-20-6-4-17(5-7-20)25-18-9-15-8-16(11-18)12-19(25)10-15/h1-7,15-16,18-19,25H,8-14H2,(H,28,29)