6-(4-methylsulfanylphenyl)-5-nitro-piperidin-2-one

Systemtic Name: 6-(4-methylsulfanylphenyl)-5-nitro-piperidin-2-one Openeye Name: 6-(4-methylsulfanylphenyl)-5-nitro-piperidin-2-one CAS Name: 6-[4-(methylthio)phenyl]-5-nitro-2-piperidinone IUPAC Name: 6-(4-methylsulfanylphenyl)-5-nitropiperidin-2-one Traditional Name: 6-[4-(methylthio)phenyl]-5-nitro-2-piperidone Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O3S/c1-18-9-4-2-8(3-5-9)12-10(14(16)17)6-7-11(15)13-12/h2-5,10,12H,6-7H2,1H3,(H,13,15)