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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC(=C(C=C4)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC(=C(C=C4)F)F

InChI

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