(2E)-2-(1-nitrobut-3-ynylidene)-1,3-thiazinane

Systemtic Name: (2E)-2-(1-nitrobut-3-ynylidene)-1,3-thiazinane Openeye Name: (2E)-2-(1-nitrobut-3-ynylidene)-1,3-thiazinane CAS Name: (2E)-2-(1-nitrobut-3-ynylidene)-1,3-thiazinane IUPAC Name: (2E)-2-(1-nitrobut-3-ynylidene)-1,3-thiazinane Traditional Name: (2E)-2-(1-nitrobut-3-ynylidene)-1,3-thiazinane Formula: C8H10N2O2S MolecularWeight: 198.2422

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(=C1NCCCS1)[N+](=O)[O-]

Isomeric SMILES

C#CC/C(=C\1/NCCCS1)/[N+](=O)[O-]

InChI

InChI=1S/C8H10N2O2S/c1-2-4-7(10(11)12)8-9-5-3-6-13-8/h1,9H,3-6H2/b8-7+