2-(1-adamantylsulfanyl)-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-(1-adamantylthio)-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-(1-adamantylthio)-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N2O3S/c1-12-3-17(18(22(24)25)4-13(12)2)21-19(23)11-26-20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,14-16H,5-11H2,1-2H3,(H,21,23)