2-(2-methylpropylsulfanyl)-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-(2-methylpropylsulfanyl)-1-(3-nitrophenyl)ethanone Openeye Name: 2-isobutylsulfanyl-1-(3-nitrophenyl)ethanone CAS Name: 2-(2-methylpropylthio)-1-(3-nitrophenyl)ethanone IUPAC Name: 2-(2-methylpropylsulfanyl)-1-(3-nitrophenyl)ethanone Traditional Name: 2-(isobutylthio)-1-(3-nitrophenyl)ethanone Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-9(2)7-17-8-12(14)10-4-3-5-11(6-10)13(15)16/h3-6,9H,7-8H2,1-2H3