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

Systemtic Name: 4-(4-bromanyl-1H-imidazol-5-yl)-N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]butan-1-amine Openeye Name: 4-(4-bromo-1H-imidazol-5-yl)-N-[(E)-1-methylsulfanyl-2-nitro-vinyl]butan-1-amine CAS Name: 4-(4-bromo-1H-imidazol-5-yl)-N-[(E)-1-(methylthio)-2-nitroethenyl]-1-butanamine IUPAC Name: 4-(4-bromo-1H-imidazol-5-yl)-N-[(E)-1-methylsulfanyl-2-nitroethenyl]butan-1-amine Traditional Name: 4-(4-bromo-1H-imidazol-5-yl)butyl-[(E)-1-(methylthio)-2-nitro-vinyl]amine Formula: C10H15BrN4O2S MolecularWeight: 335.2207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15BrN4O2S/c1-18-9(6-15(16)17)12-5-3-2-4-8-10(11)14-7-13-8/h6-7,12H,2-5H2,1H3,(H,13,14)/b9-6+