N-[(6-chloranylpyridin-3-yl)methyl]propan-1-amine; (E)-1-methylsulfanyl-2-nitro-ethene

Systemtic Name: N-[(6-chloranylpyridin-3-yl)methyl]propan-1-amine; (E)-1-methylsulfanyl-2-nitro-ethene Openeye Name: N-[(6-chloro-3-pyridyl)methyl]propan-1-amine; (E)-1-methylsulfanyl-2-nitro-ethylene CAS Name: N-[(6-chloro-3-pyridinyl)methyl]-1-propanamine; (E)-1-(methylthio)-2-nitroethene IUPAC Name: N-[(6-chloropyridin-3-yl)methyl]propan-1-amine; (E)-1-methylsulfanyl-2-nitroethene Traditional Name: (6-chloro-3-pyridyl)methyl-propyl-amine; (E)-1-(methylthio)-2-nitro-ethylene Formula: C12H18ClN3O2S MolecularWeight: 303.80822

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CN=C(C=C1)Cl.CSC=C[N+](=O)[O-]

Isomeric SMILES

CCCNCC1=CN=C(C=C1)Cl.CS/C=C/[N+](=O)[O-]

InChI

InChI=1S/C9H13ClN2.C3H5NO2S/c1-2-5-11-6-8-3-4-9(10)12-7-8;1-7-3-2-4(5)6/h3-4,7,11H,2,5-6H2,1H3;2-3H,1H3/b;3-2+