2-(1-adamantylsulfanyl)-1-(4-methyl-3-nitro-phenyl)ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-(1-adamantylthio)-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-(1-adamantylthio)-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO3S/c1-12-2-3-16(7-17(12)20(22)23)18(21)11-24-19-8-13-4-14(9-19)6-15(5-13)10-19/h2-3,7,13-15H,4-6,8-11H2,1H3