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

Systemtic Name: (E)-N1'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-N1-pent-4-ynyl-ethene-1,1-diamine Openeye Name: (E)-N1'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-N1-pent-4-ynyl-ethene-1,1-diamine CAS Name: (E)-N1'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-2-nitro-N1-pent-4-ynylethene-1,1-diamine IUPAC Name: (E)-1-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-1-N-pent-4-ynylethene-1,1-diamine Traditional Name: 2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl-[(E)-2-nitro-1-(pent-4-ynylamino)vinyl]amine Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5O2S/c1-3-4-5-6-15-14(9-19(20)21)16-7-8-22-10-13-12(2)17-11-18-13/h1,9,11,15-16H,4-8,10H2,2H3,(H,17,18)/b14-9+