2-[[(E)-1-(2-methylbut-3-yn-2-ylamino)-2-nitro-ethenyl]amino]ethanethiol

Systemtic Name: 2-[[(E)-1-(2-methylbut-3-yn-2-ylamino)-2-nitro-ethenyl]amino]ethanethiol Openeye Name: 2-[[(E)-1-(1,1-dimethylprop-2-ynylamino)-2-nitro-vinyl]amino]ethanethiol CAS Name: 2-[[(E)-1-(2-methylbut-3-yn-2-ylamino)-2-nitroethenyl]amino]ethanethiol IUPAC Name: 2-[[(E)-1-(2-methylbut-3-yn-2-ylamino)-2-nitroethenyl]amino]ethanethiol Traditional Name: 2-[[(E)-1-(1,1-dimethylprop-2-ynylamino)-2-nitro-vinyl]amino]ethanethiol Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)NC(=C[N+](=O)[O-])NCCS

Isomeric SMILES

CC(C)(C#C)N/C(=C/[N+](=O)[O-])/NCCS

InChI

InChI=1S/C9H15N3O2S/c1-4-9(2,3)11-8(7-12(13)14)10-5-6-15/h1,7,10-11,15H,5-6H2,2-3H3/b8-7+