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

Systemtic Name: (E)-N1-methyl-N1'-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1-methyl-N1'-[2-(m-tolylmethylsulfanyl)ethyl]-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1-methyl-N1'-[2-[(3-methylphenyl)methylthio]ethyl]-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N-methyl-1-N'-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine Traditional Name: methyl-[(E)-1-[2-[(3-methylbenzyl)thio]ethylamino]-2-nitro-vinyl]amine Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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