methyl-[3-[[(Z)-1-(methylamino)-2-nitro-ethenyl]amino]-1-phenyl-propyl]-sulfanylidene-azanium bromide

Systemtic Name: methyl-[3-[[(Z)-1-(methylamino)-2-nitro-ethenyl]amino]-1-phenyl-propyl]-sulfanylidene-azanium bromide Openeye Name: methyl-[3-[[(Z)-1-(methylamino)-2-nitro-vinyl]amino]-1-phenyl-propyl]-thioxo-ammonium bromide CAS Name: methyl-[3-[[(Z)-1-(methylamino)-2-nitroethenyl]amino]-1-phenylpropyl]-sulfanylideneammonium bromide IUPAC Name: methyl-[3-[[(Z)-1-(methylamino)-2-nitroethenyl]amino]-1-phenylpropyl]-sulfanylideneazanium bromide Traditional Name: methyl-[3-[[(Z)-1-(methylamino)-2-nitro-vinyl]amino]-1-phenyl-propyl]-thioxo-ammonium bromide Formula: C13H19BrN4O2S MolecularWeight: 375.28456

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=C[N+](=O)[O-])NCCC(C1=CC=CC=C1)[N+](=S)C.[Br-]

Isomeric SMILES

CN/C(=C/[N+](=O)[O-])/NCCC(C1=CC=CC=C1)[N+](=S)C.[Br-]

InChI

InChI=1S/C13H19N4O2S.BrH/c1-14-13(10-17(18)19)15-9-8-12(16(2)20)11-6-4-3-5-7-11;/h3-7,10,12,14-15H,8-9H2,1-2H3;1H/q+1;/p-1/b13-10-;