(E,2Z)-2-(azanylcarbamothioylhydrazinylidene)-N-(2-ethylphenyl)-6-(3-nitrophenyl)-4-oxidanylidene-hex-5-enamide

Systemtic Name: (E,2Z)-2-(azanylcarbamothioylhydrazinylidene)-N-(2-ethylphenyl)-6-(3-nitrophenyl)-4-oxidanylidene-hex-5-enamide Openeye Name: (E,2Z)-2-(aminocarbamothioylhydrazono)-N-(2-ethylphenyl)-6-(3-nitrophenyl)-4-oxo-hex-5-enamide CAS Name: (E,2Z)-N-(2-ethylphenyl)-2-[[hydrazinyl(sulfanylidene)methyl]hydrazinylidene]-6-(3-nitrophenyl)-4-oxo-5-hexenamide IUPAC Name: (E,2Z)-2-(aminocarbamothioylhydrazinylidene)-N-(2-ethylphenyl)-6-(3-nitrophenyl)-4-oxohex-5-enamide Traditional Name: (E,2Z)-2-(aminothiocarbamoylhydrazono)-N-(2-ethylphenyl)-4-keto-6-(3-nitrophenyl)hex-5-enamide Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(=NNC(=S)NN)CC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)/C(=N\NC(=S)NN)/CC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4S/c1-2-15-7-3-4-9-18(15)23-20(29)19(25-26-21(32)24-22)13-17(28)11-10-14-6-5-8-16(12-14)27(30)31/h3-12H,2,13,22H2,1H3,(H,23,29)(H2,24,26,32)/b11-10+,25-19-