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

Systemtic Name: (E)-N1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-N1'-prop-2-ynyl-ethene-1,1-diamine Openeye Name: (E)-N1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-N1'-prop-2-ynyl-ethene-1,1-diamine CAS Name: (E)-N1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-2-nitro-N1'-prop-2-ynylethene-1,1-diamine IUPAC Name: (E)-1-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-1-N'-prop-2-ynylethene-1,1-diamine Traditional Name: 2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl-[(E)-2-nitro-1-(propargylamino)vinyl]amine Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O2S/c1-3-4-13-12(7-17(18)19)14-5-6-20-8-11-10(2)15-9-16-11/h1,7,9,13-14H,4-6,8H2,2H3,(H,15,16)/b12-7+