N-[4-(1-adamantyl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-[(4-nitrophenyl)methylthio]acetamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-[(4-nitrobenzyl)thio]acetamide Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CSCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CSCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H28N2O3S/c28-24(16-31-15-17-1-7-23(8-2-17)27(29)30)26-22-5-3-21(4-6-22)25-12-18-9-19(13-25)11-20(10-18)14-25/h1-8,18-20H,9-16H2,(H,26,28)