2-(1-adamantylsulfanyl)-N-(2-cyano-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-(2-cyano-4-nitro-phenyl)ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(2-cyano-4-nitro-phenyl)acetamide CAS Name: 2-(1-adamantylthio)-N-(2-cyano-4-nitrophenyl)acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(2-cyano-4-nitrophenyl)acetamide Traditional Name: 2-(1-adamantylthio)-N-(2-cyano-4-nitro-phenyl)acetamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H21N3O3S/c20-10-15-6-16(22(24)25)1-2-17(15)21-18(23)11-26-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14H,3-5,7-9,11H2,(H,21,23)