2-(1-adamantylsulfanyl)-N-[3,4-bis(fluoranyl)phenyl]ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-[3,4-bis(fluoranyl)phenyl]ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(3,4-difluorophenyl)acetamide CAS Name: 2-(1-adamantylthio)-N-(3,4-difluorophenyl)acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(3,4-difluorophenyl)acetamide Traditional Name: 2-(1-adamantylthio)-N-(3,4-difluorophenyl)acetamide Formula: C18H21F2NOS MolecularWeight: 337.427246

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC(=O)NC4=CC(=C(C=C4)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC(=O)NC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C18H21F2NOS/c19-15-2-1-14(6-16(15)20)21-17(22)10-23-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H,21,22)