(NE)-N-[2-[(6-chloranylpyridin-3-yl)methyl-prop-2-ynyl-amino]ethylsulfanyl-methylsulfanyl-methylidene]nitramide

Systemtic Name: (NE)-N-[2-[(6-chloranylpyridin-3-yl)methyl-prop-2-ynyl-amino]ethylsulfanyl-methylsulfanyl-methylidene]nitramide Openeye Name: (NE)-N-[2-[(6-chloro-3-pyridyl)methyl-prop-2-ynyl-amino]ethylsulfanyl-methylsulfanyl-methylene]nitramide CAS Name: (NE)-N-[[2-[(6-chloro-3-pyridinyl)methyl-prop-2-ynylamino]ethylthio]-(methylthio)methylidene]nitramide IUPAC Name: (NE)-N-[2-[(6-chloropyridin-3-yl)methyl-prop-2-ynylamino]ethylsulfanyl-methylsulfanylmethylidene]nitramide Traditional Name: (NE)-N-[[2-[(6-chloro-3-pyridyl)methyl-propargyl-amino]ethylthio]-(methylthio)methylene]nitramide Formula: C13H15ClN4O2S2 MolecularWeight: 358.8668

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=N[N+](=O)[O-])SCCN(CC#C)CC1=CN=C(C=C1)Cl

Isomeric SMILES

CS/C(=N\[N+](=O)[O-])/SCCN(CC#C)CC1=CN=C(C=C1)Cl

InChI

InChI=1S/C13H15ClN4O2S2/c1-3-6-17(10-11-4-5-12(14)15-9-11)7-8-22-13(21-2)16-18(19)20/h1,4-5,9H,6-8,10H2,2H3/b16-13+