2-butan-2-ylsulfanyl-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-butan-2-ylsulfanyl-1-(4-nitrophenyl)ethanone Openeye Name: 1-(4-nitrophenyl)-2-sec-butylsulfanyl-ethanone CAS Name: 2-(butan-2-ylthio)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-butan-2-ylsulfanyl-1-(4-nitrophenyl)ethanone Traditional Name: 1-(4-nitrophenyl)-2-(sec-butylthio)ethanone Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCC(C)SCC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-3-9(2)17-8-12(14)10-4-6-11(7-5-10)13(15)16/h4-7,9H,3,8H2,1-2H3