3-[(6-chloranylpyridin-3-yl)methyl]-5-methylsulfanyl-1-nitro-pentan-2-one

Systemtic Name: 3-[(6-chloranylpyridin-3-yl)methyl]-5-methylsulfanyl-1-nitro-pentan-2-one Openeye Name: 3-[(6-chloro-3-pyridyl)methyl]-5-methylsulfanyl-1-nitro-pentan-2-one CAS Name: 3-[(6-chloro-3-pyridinyl)methyl]-5-(methylthio)-1-nitro-2-pentanone IUPAC Name: 3-[(6-chloropyridin-3-yl)methyl]-5-methylsulfanyl-1-nitropentan-2-one Traditional Name: 3-[(6-chloro-3-pyridyl)methyl]-5-(methylthio)-1-nitro-pentan-2-one Formula: C12H15ClN2O3S MolecularWeight: 302.7771

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CC1=CN=C(C=C1)Cl)C(=O)C[N+](=O)[O-]

Isomeric SMILES

CSCCC(CC1=CN=C(C=C1)Cl)C(=O)C[N+](=O)[O-]

InChI

InChI=1S/C12H15ClN2O3S/c1-19-5-4-10(11(16)8-15(17)18)6-9-2-3-12(13)14-7-9/h2-3,7,10H,4-6,8H2,1H3