4-(3-chloranylpyridin-2-yl)-N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]butan-1-amine

Systemtic Name: 4-(3-chloranylpyridin-2-yl)-N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]butan-1-amine Openeye Name: 4-(3-chloro-2-pyridyl)-N-[(E)-1-methylsulfanyl-2-nitro-vinyl]butan-1-amine CAS Name: 4-(3-chloro-2-pyridinyl)-N-[(E)-1-(methylthio)-2-nitroethenyl]-1-butanamine IUPAC Name: 4-(3-chloropyridin-2-yl)-N-[(E)-1-methylsulfanyl-2-nitroethenyl]butan-1-amine Traditional Name: 4-(3-chloro-2-pyridyl)butyl-[(E)-1-(methylthio)-2-nitro-vinyl]amine Formula: C12H16ClN3O2S MolecularWeight: 301.79234

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C[N+](=O)[O-])NCCCCC1=C(C=CC=N1)Cl

Isomeric SMILES

CS/C(=C/[N+](=O)[O-])/NCCCCC1=C(C=CC=N1)Cl

InChI

InChI=1S/C12H16ClN3O2S/c1-19-12(9-16(17)18)15-7-3-2-6-11-10(13)5-4-8-14-11/h4-5,8-9,15H,2-3,6-7H2,1H3/b12-9+