2-(3-iodanyl-1,2,4-triazol-1-yl)-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanamide

Systemtic Name: 2-(3-iodanyl-1,2,4-triazol-1-yl)-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanamide Openeye Name: 2-(3-iodo-1,2,4-triazol-1-yl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide CAS Name: 2-(3-iodo-1,2,4-triazol-1-yl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide IUPAC Name: 2-(3-iodo-1,2,4-triazol-1-yl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide Traditional Name: 2-(3-iodo-1,2,4-triazol-1-yl)-N-(5-keto-1-phenyl-2-pyrazolin-3-yl)acetamide Formula: C13H11IN6O2 MolecularWeight: 410.16991

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CN3C=NC(=N3)I

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CN3C=NC(=N3)I

InChI

InChI=1S/C13H11IN6O2/c14-13-15-8-19(18-13)7-11(21)16-10-6-12(22)20(17-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,16,17,21)