1-[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]ethanone Openeye Name: 1-(4-isobutylsulfanyl-3-nitro-phenyl)ethanone CAS Name: 1-[4-(2-methylpropylthio)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(2-methylpropylsulfanyl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(isobutylthio)-3-nitro-phenyl]ethanone Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-]

InChI

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