3-(2-iodanylphenyl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(2-iodanylphenyl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxidanylidene-propanenitrile Openeye Name: 3-(2-iodophenyl)-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxo-propanenitrile CAS Name: 3-(2-iodophenyl)-2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-3-oxopropanenitrile IUPAC Name: 3-(2-iodophenyl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxopropanenitrile Traditional Name: 3-(2-iodophenyl)-3-keto-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)propionitrile Formula: C21H18IN5O2 MolecularWeight: 499.30439

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NNC(=C(C#N)C(=O)C3=CC=CC=C3I)N2C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NNC(=C(C#N)C(=O)C3=CC=CC=C3I)N2C4=CC=CC=C4

InChI

InChI=1S/C21H18IN5O2/c22-18-9-5-4-8-16(18)19(28)17(14-23)20-24-25-21(26-10-12-29-13-11-26)27(20)15-6-2-1-3-7-15/h1-9,24H,10-13H2