(E)-4-nitro-3-(prop-2-ynylamino)but-3-ene-1-thiol

Systemtic Name: (E)-4-nitro-3-(prop-2-ynylamino)but-3-ene-1-thiol Openeye Name: (E)-4-nitro-3-(prop-2-ynylamino)but-3-ene-1-thiol CAS Name: (E)-4-nitro-3-(prop-2-ynylamino)-3-butene-1-thiol IUPAC Name: (E)-4-nitro-3-(prop-2-ynylamino)but-3-ene-1-thiol Traditional Name: (E)-4-nitro-3-(propargylamino)but-3-ene-1-thiol Formula: C7H10N2O2S MolecularWeight: 186.2315

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=C[N+](=O)[O-])CCS

Isomeric SMILES

C#CCN/C(=C/[N+](=O)[O-])/CCS

InChI

InChI=1S/C7H10N2O2S/c1-2-4-8-7(3-5-12)6-9(10)11/h1,6,8,12H,3-5H2/b7-6+