(E)-N1'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine Traditional Name: [(E)-1-amino-2-nitro-vinyl]-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]amine Formula: C9H15N5O2S MolecularWeight: 257.3127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=C[N+](=O)[O-])N

Isomeric SMILES

CC1=C(N=CN1)CSCCN/C(=C/[N+](=O)[O-])/N

InChI

InChI=1S/C9H15N5O2S/c1-7-8(13-6-12-7)5-17-3-2-11-9(10)4-14(15)16/h4,6,11H,2-3,5,10H2,1H3,(H,12,13)/b9-4+