2-(2-chloranyl-4-fluoranyl-phenoxy)-2-methyl-N-(5-methylsulfanyl-2-adamantyl)propanamide

Systemtic Name: 2-(2-chloranyl-4-fluoranyl-phenoxy)-2-methyl-N-(5-methylsulfanyl-2-adamantyl)propanamide Openeye Name: 2-(2-chloro-4-fluoro-phenoxy)-2-methyl-N-(5-methylsulfanyl-2-adamantyl)propanamide CAS Name: 2-(2-chloro-4-fluorophenoxy)-2-methyl-N-[5-(methylthio)-2-adamantyl]propanamide IUPAC Name: 2-(2-chloro-4-fluorophenoxy)-2-methyl-N-(5-methylsulfanyl-2-adamantyl)propanamide Traditional Name: 2-(2-chloro-4-fluoro-phenoxy)-2-methyl-N-[5-(methylthio)-2-adamantyl]propionamide Formula: C21H27ClFNO2S MolecularWeight: 411.960983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)SC)OC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)SC)OC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H27ClFNO2S/c1-20(2,26-17-5-4-15(23)8-16(17)22)19(25)24-18-13-6-12-7-14(18)11-21(9-12,10-13)27-3/h4-5,8,12-14,18H,6-7,9-11H2,1-3H3,(H,24,25)