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

Systemtic Name: 3-(4-tert-butylphenyl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxidanylidene-propanenitrile Openeye Name: 3-(4-tert-butylphenyl)-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxo-propanenitrile CAS Name: 3-(4-tert-butylphenyl)-2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-3-oxopropanenitrile IUPAC Name: 3-(4-tert-butylphenyl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxopropanenitrile Traditional Name: 3-(4-tert-butylphenyl)-3-keto-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)propionitrile Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=C2NN=C(N2C3=CC=CC=C3)N4CCOCC4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=C2NN=C(N2C3=CC=CC=C3)N4CCOCC4)C#N

InChI

InChI=1S/C25H27N5O2/c1-25(2,3)19-11-9-18(10-12-19)22(31)21(17-26)23-27-28-24(29-13-15-32-16-14-29)30(23)20-7-5-4-6-8-20/h4-12,27H,13-16H2,1-3H3