(4E)-2-(4-iodophenyl)-5-methyl-4-[(1,2,4-triazol-4-ylamino)methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(4-iodophenyl)-5-methyl-4-[(1,2,4-triazol-4-ylamino)methylidene]pyrazol-3-one Openeye Name: (4E)-2-(4-iodophenyl)-5-methyl-4-[(1,2,4-triazol-4-ylamino)methylene]pyrazol-3-one CAS Name: (4E)-2-(4-iodophenyl)-5-methyl-4-[(1,2,4-triazol-4-ylamino)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(4-iodophenyl)-5-methyl-4-[(1,2,4-triazol-4-ylamino)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(4-iodophenyl)-5-methyl-4-[(1,2,4-triazol-4-ylamino)methylene]-2-pyrazolin-3-one Formula: C13H11IN6O MolecularWeight: 394.17051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNN2C=NN=C2)C3=CC=C(C=C3)I

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NN2C=NN=C2)C3=CC=C(C=C3)I

InChI

InChI=1S/C13H11IN6O/c1-9-12(6-17-19-7-15-16-8-19)13(21)20(18-9)11-4-2-10(14)3-5-11/h2-8,17H,1H3/b12-6+