N-(1-adamantylmethyl)-2-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-(1-adamantylmethyl)-2-[[4-chloro-3-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-(1-adamantylmethyl)-2-[[4-chloro-3-(trifluoromethyl)phenyl]thio]acetamide Formula: C20H23ClF3NOS MolecularWeight: 417.91593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClF3NOS/c21-17-2-1-15(6-16(17)20(22,23)24)27-10-18(26)25-11-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14H,3-5,7-11H2,(H,25,26)