N-[5-(2-methylpropylsulfanyl)-2-nitro-phenyl]ethanamide

Systemtic Name: N-[5-(2-methylpropylsulfanyl)-2-nitro-phenyl]ethanamide Openeye Name: N-(5-isobutylsulfanyl-2-nitro-phenyl)acetamide CAS Name: N-[5-(2-methylpropylthio)-2-nitrophenyl]acetamide IUPAC Name: N-[5-(2-methylpropylsulfanyl)-2-nitrophenyl]acetamide Traditional Name: N-[5-(isobutylthio)-2-nitro-phenyl]acetamide Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-8(2)7-18-10-4-5-12(14(16)17)11(6-10)13-9(3)15/h4-6,8H,7H2,1-3H3,(H,13,15)