N-(1-adamantyl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[(5-nitro-2-pyridyl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(5-nitro-2-pyridinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(5-nitro-2-pyridyl)thio]acetamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c21-15(10-24-16-2-1-14(9-18-16)20(22)23)19-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13H,3-8,10H2,(H,19,21)