N-(1-adamantyl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(4-nitrophenyl)thio]acetamide Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O3S/c21-17(11-24-16-3-1-15(2-4-16)20(22)23)19-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,19,21)