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

Systemtic Name: 3-(2-chloranylpyridin-3-yl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxidanylidene-propanenitrile Openeye Name: 3-(2-chloro-3-pyridyl)-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxo-propanenitrile CAS Name: 3-(2-chloro-3-pyridinyl)-2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-3-oxopropanenitrile IUPAC Name: 3-(2-chloropyridin-3-yl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxopropanenitrile Traditional Name: 3-(2-chloro-3-pyridyl)-3-keto-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)propionitrile Formula: C20H17ClN6O2 MolecularWeight: 408.84098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN6O2/c21-18-15(7-4-8-23-18)17(28)16(13-22)19-24-25-20(26-9-11-29-12-10-26)27(19)14-5-2-1-3-6-14/h1-8,24H,9-12H2