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

Systemtic Name: 2-[(3-oxidanylidene-2-phenyl-1H-1,2,4-triazol-5-yl)carbonyl]propanedinitrile Openeye Name: 2-(3-oxo-2-phenyl-1H-1,2,4-triazole-5-carbonyl)propanedinitrile CAS Name: 2-[oxo-(3-oxo-2-phenyl-1H-1,2,4-triazol-5-yl)methyl]propanedinitrile IUPAC Name: 2-(3-oxo-2-phenyl-1H-1,2,4-triazole-5-carbonyl)propanedinitrile Traditional Name: 2-(3-keto-2-phenyl-1H-1,2,4-triazole-5-carbonyl)malononitrile Formula: C12H7N5O2 MolecularWeight: 253.21628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)N=C(N2)C(=O)C(C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)N=C(N2)C(=O)C(C#N)C#N

InChI

InChI=1S/C12H7N5O2/c13-6-8(7-14)10(18)11-15-12(19)17(16-11)9-4-2-1-3-5-9/h1-5,8H,(H,15,16,19)