3-oxidanylidene-2-[(3-oxidanylidene-2-phenyl-1H-1,2,4-triazol-5-yl)carbonyl]-3-phenyl-propanenitrile

Systemtic Name: 3-oxidanylidene-2-[(3-oxidanylidene-2-phenyl-1H-1,2,4-triazol-5-yl)carbonyl]-3-phenyl-propanenitrile Openeye Name: 2-benzoyl-3-oxo-3-(3-oxo-2-phenyl-1H-1,2,4-triazol-5-yl)propanenitrile CAS Name: 2-benzoyl-3-oxo-3-(3-oxo-2-phenyl-1H-1,2,4-triazol-5-yl)propanenitrile IUPAC Name: 2-benzoyl-3-oxo-3-(3-oxo-2-phenyl-1H-1,2,4-triazol-5-yl)propanenitrile Traditional Name: 2-benzoyl-3-keto-3-(3-keto-2-phenyl-1H-1,2,4-triazol-5-yl)propionitrile Formula: C18H12N4O3 MolecularWeight: 332.31288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C#N)C(=O)C2=NC(=O)N(N2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C#N)C(=O)C2=NC(=O)N(N2)C3=CC=CC=C3

InChI

InChI=1S/C18H12N4O3/c19-11-14(15(23)12-7-3-1-4-8-12)16(24)17-20-18(25)22(21-17)13-9-5-2-6-10-13/h1-10,14H,(H,20,21,25)