2-[(4E)-1-ethyl-4-[(1-ethylpyrazol-4-yl)methylidene]-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[(4E)-1-ethyl-4-[(1-ethylpyrazol-4-yl)methylidene]-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(4E)-1-ethyl-4-[(1-ethylpyrazol-4-yl)methylene]-5-oxo-imidazol-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[[(4E)-1-ethyl-4-[(1-ethyl-4-pyrazolyl)methylidene]-5-oxo-2-imidazolyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(4E)-1-ethyl-4-[(1-ethylpyrazol-4-yl)methylidene]-5-oxoimidazol-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[(4E)-1-ethyl-4-[(1-ethylpyrazol-4-yl)methylene]-5-keto-2-imidazolin-2-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C=C2C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CC

Isomeric SMILES

CCN1C=C(C=N1)/C=C/2\C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CC

InChI

InChI=1S/C19H20N6O4S/c1-3-23-11-13(10-20-23)9-16-18(27)24(4-2)19(22-16)30-12-17(26)21-14-5-7-15(8-6-14)25(28)29/h5-11H,3-4,12H2,1-2H3,(H,21,26)/b16-9+