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

Systemtic Name: 2-[(4E)-4-[(1-methylpyrazol-4-yl)methylidene]-5-oxidanylidene-1-phenyl-imidazol-2-yl]sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(4E)-4-[(1-methylpyrazol-4-yl)methylene]-5-oxo-1-phenyl-imidazol-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[[(4E)-4-[(1-methyl-4-pyrazolyl)methylidene]-5-oxo-1-phenyl-2-imidazolyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(4E)-4-[(1-methylpyrazol-4-yl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[(4E)-5-keto-4-[(1-methylpyrazol-4-yl)methylene]-1-phenyl-2-imidazolin-2-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C22H18N6O4S MolecularWeight: 462.48112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=C2C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)/C=C/2\C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H18N6O4S/c1-26-13-15(12-23-26)11-19-21(30)27(17-5-3-2-4-6-17)22(25-19)33-14-20(29)24-16-7-9-18(10-8-16)28(31)32/h2-13H,14H2,1H3,(H,24,29)/b19-11+