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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=CC(=C(C=C4)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=CC(=C(C=C4)F)F

InChI

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