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

Systemtic Name: 3-(2,4-dichlorophenyl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxidanylidene-propanenitrile Openeye Name: 3-(2,4-dichlorophenyl)-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxo-propanenitrile CAS Name: 3-(2,4-dichlorophenyl)-2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-3-oxopropanenitrile IUPAC Name: 3-(2,4-dichlorophenyl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxopropanenitrile Traditional Name: 3-(2,4-dichlorophenyl)-3-keto-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)propionitrile Formula: C21H17Cl2N5O2 MolecularWeight: 442.29798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17Cl2N5O2/c22-14-6-7-16(18(23)12-14)19(29)17(13-24)20-25-26-21(27-8-10-30-11-9-27)28(20)15-4-2-1-3-5-15/h1-7,12,25H,8-11H2