2-(1-adamantylsulfanyl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-(1-adamantylthio)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-(1-adamantylthio)-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC23CC4CC(C2)CC(C4)C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC23CC4CC(C2)CC(C4)C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O4S/c1-12-3-17(22(24)25)18(26-2)7-16(12)21-19(23)11-27-20-8-13-4-14(9-20)6-15(5-13)10-20/h3,7,13-15H,4-6,8-11H2,1-2H3,(H,21,23)