(E)-N1-methyl-N1'-[3-(3-methylphenyl)sulfanylpropyl]-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1-methyl-N1'-[3-(3-methylphenyl)sulfanylpropyl]-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1-methyl-N1'-[3-(m-tolylsulfanyl)propyl]-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1-methyl-N1'-[3-[(3-methylphenyl)thio]propyl]-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N-methyl-1-N'-[3-(3-methylphenyl)sulfanylpropyl]-2-nitroethene-1,1-diamine Traditional Name: methyl-[(E)-1-[3-(m-tolylthio)propylamino]-2-nitro-vinyl]amine Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCCCNC(=C[N+](=O)[O-])NC

Isomeric SMILES

CC1=CC(=CC=C1)SCCCN/C(=C/[N+](=O)[O-])/NC

InChI

InChI=1S/C13H19N3O2S/c1-11-5-3-6-12(9-11)19-8-4-7-15-13(14-2)10-16(17)18/h3,5-6,9-10,14-15H,4,7-8H2,1-2H3/b13-10+