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

Systemtic Name: N-(1-adamantyl)-3-[3,4-bis(fluoranyl)phenyl]sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-3-(3,4-difluorophenyl)sulfanyl-propanamide CAS Name: N-(1-adamantyl)-3-[(3,4-difluorophenyl)thio]propanamide IUPAC Name: N-(1-adamantyl)-3-(3,4-difluorophenyl)sulfanylpropanamide Traditional Name: N-(1-adamantyl)-3-[(3,4-difluorophenyl)thio]propionamide Formula: C19H23F2NOS MolecularWeight: 351.453826

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CCSC4=CC(=C(C=C4)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CCSC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C19H23F2NOS/c20-16-2-1-15(8-17(16)21)24-4-3-18(23)22-19-9-12-5-13(10-19)7-14(6-12)11-19/h1-2,8,12-14H,3-7,9-11H2,(H,22,23)