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

Systemtic Name: 2-(1-adamantylsulfanyl)-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-(1-adamantylthio)-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-(1-adamantylthio)-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H24N2O3S/c1-12-2-3-16(21(23)24)7-17(12)20-18(22)11-25-19-8-13-4-14(9-19)6-15(5-13)10-19/h2-3,7,13-15H,4-6,8-11H2,1H3,(H,20,22)