benzamidoazanium; (E)-2-cyano-1-ethoxy-3-[2-(phenylcarbonyl)hydrazinyl]-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: benzamidoazanium; (E)-2-cyano-1-ethoxy-3-[2-(phenylcarbonyl)hydrazinyl]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: benzamidoammonium; (E)-3-(2-benzoylhydrazino)-2-cyano-1-ethoxy-3-thioxo-prop-1-en-1-olate CAS Name: benzamidoammonium; (E)-3-(benzoylhydrazo)-2-cyano-1-ethoxy-3-sulfanylidene-1-propen-1-olate IUPAC Name: benzamidoazanium; (E)-3-(2-benzoylhydrazinyl)-2-cyano-1-ethoxy-3-sulfanylideneprop-1-en-1-olate Traditional Name: benzamidoammonium; (E)-3-(N'-benzoylhydrazino)-2-cyano-1-ethoxy-3-thioxo-prop-1-en-1-olate Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C(=S)NNC(=O)C1=CC=CC=C1)[O-].C1=CC=C(C=C1)C(=O)N[NH3+]

Isomeric SMILES

CCO/C(=C(\C#N)/C(=S)NNC(=O)C1=CC=CC=C1)/[O-].C1=CC=C(C=C1)C(=O)N[NH3+]

InChI

InChI=1S/C13H13N3O3S.C7H8N2O/c1-2-19-13(18)10(8-14)12(20)16-15-11(17)9-6-4-3-5-7-9;8-9-7(10)6-4-2-1-3-5-6/h3-7,18H,2H2,1H3,(H,15,17)(H,16,20);1-5H,8H2,(H,9,10)/b13-10+;