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

Systemtic Name: (Z)-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-nitro-N-pent-4-ynyl-ethene-1,2-diamine Openeye Name: (Z)-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-nitro-N-pent-4-ynyl-ethene-1,2-diamine CAS Name: (Z)-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-1-nitro-N-pent-4-ynylethene-1,2-diamine IUPAC Name: (Z)-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-nitro-N-pent-4-ynylethene-1,2-diamine Traditional Name: 2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl-[(Z)-2-nitro-2-(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(NCCCC#C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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