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

Systemtic Name: 2-[[(E)-1-(but-3-yn-2-ylamino)-2-nitro-ethenyl]amino]ethanethiol Openeye Name: 2-[[(E)-1-(1-methylprop-2-ynylamino)-2-nitro-vinyl]amino]ethanethiol CAS Name: 2-[[(E)-1-(but-3-yn-2-ylamino)-2-nitroethenyl]amino]ethanethiol IUPAC Name: 2-[[(E)-1-(but-3-yn-2-ylamino)-2-nitroethenyl]amino]ethanethiol Traditional Name: 2-[[(E)-1-(1-methylprop-2-ynylamino)-2-nitro-vinyl]amino]ethanethiol Formula: C8H13N3O2S MolecularWeight: 215.27272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13N3O2S/c1-3-7(2)10-8(6-11(12)13)9-4-5-14/h1,6-7,9-10,14H,4-5H2,2H3/b8-6+