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

Systemtic Name: 4-(3-bromanylphenoxy)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-(3-bromophenoxy)-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxo-butanenitrile CAS Name: 4-(3-bromophenoxy)-2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-3-oxobutanenitrile IUPAC Name: 4-(3-bromophenoxy)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxobutanenitrile Traditional Name: 4-(3-bromophenoxy)-3-keto-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)butyronitrile Formula: C22H20BrN5O3 MolecularWeight: 482.3299

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NNC(=C(C#N)C(=O)COC3=CC(=CC=C3)Br)N2C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NNC(=C(C#N)C(=O)COC3=CC(=CC=C3)Br)N2C4=CC=CC=C4

InChI

InChI=1S/C22H20BrN5O3/c23-16-5-4-8-18(13-16)31-15-20(29)19(14-24)21-25-26-22(27-9-11-30-12-10-27)28(21)17-6-2-1-3-7-17/h1-8,13,25H,9-12,15H2