4-(1H-imidazol-5-yl)-N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]butan-1-amine

Systemtic Name: 4-(1H-imidazol-5-yl)-N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]butan-1-amine Openeye Name: 4-(1H-imidazol-5-yl)-N-[(E)-1-methylsulfanyl-2-nitro-vinyl]butan-1-amine CAS Name: 4-(1H-imidazol-5-yl)-N-[(E)-1-(methylthio)-2-nitroethenyl]-1-butanamine IUPAC Name: 4-(1H-imidazol-5-yl)-N-[(E)-1-methylsulfanyl-2-nitroethenyl]butan-1-amine Traditional Name: 4-(1H-imidazol-5-yl)butyl-[(E)-1-(methylthio)-2-nitro-vinyl]amine Formula: C10H16N4O2S MolecularWeight: 256.32464

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C[N+](=O)[O-])NCCCCC1=CN=CN1

Isomeric SMILES

CS/C(=C/[N+](=O)[O-])/NCCCCC1=CN=CN1

InChI

InChI=1S/C10H16N4O2S/c1-17-10(7-14(15)16)12-5-3-2-4-9-6-11-8-13-9/h6-8,12H,2-5H2,1H3,(H,11,13)/b10-7+