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

Systemtic Name: 3-[(6-chloranylpyridin-3-yl)methyl]-1-nitro-5-(oxan-2-ylsulfanyl)pentan-2-one Openeye Name: 3-[(6-chloro-3-pyridyl)methyl]-1-nitro-5-tetrahydropyran-2-ylsulfanyl-pentan-2-one CAS Name: 3-[(6-chloro-3-pyridinyl)methyl]-1-nitro-5-(2-oxanylthio)-2-pentanone IUPAC Name: 3-[(6-chloropyridin-3-yl)methyl]-1-nitro-5-(oxan-2-ylsulfanyl)pentan-2-one Traditional Name: 3-[(6-chloro-3-pyridyl)methyl]-1-nitro-5-(tetrahydropyran-2-ylthio)pentan-2-one Formula: C16H21ClN2O4S MolecularWeight: 372.86694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)SCCC(CC2=CN=C(C=C2)Cl)C(=O)C[N+](=O)[O-]

Isomeric SMILES

C1CCOC(C1)SCCC(CC2=CN=C(C=C2)Cl)C(=O)C[N+](=O)[O-]

InChI

InChI=1S/C16H21ClN2O4S/c17-15-5-4-12(10-18-15)9-13(14(20)11-19(21)22)6-8-24-16-3-1-2-7-23-16/h4-5,10,13,16H,1-3,6-9,11H2