3-(3-chloranyl-5-oxidanylidene-1H-1,2,4-triazol-2-yl)propanenitrile

Systemtic Name: 3-(3-chloranyl-5-oxidanylidene-1H-1,2,4-triazol-2-yl)propanenitrile Openeye Name: 3-(3-chloro-5-oxo-1H-1,2,4-triazol-2-yl)propanenitrile CAS Name: 3-(3-chloro-5-oxo-1H-1,2,4-triazol-2-yl)propanenitrile IUPAC Name: 3-(3-chloro-5-oxo-1H-1,2,4-triazol-2-yl)propanenitrile Traditional Name: 3-(3-chloro-5-keto-1H-1,2,4-triazol-2-yl)propionitrile Formula: C5H5ClN4O MolecularWeight: 172.5724

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Descriptors Computed from Structure

Canonical SMILES:

C(CN1C(=NC(=O)N1)Cl)C#N

Isomeric SMILES

C(CN1C(=NC(=O)N1)Cl)C#N

InChI

InChI=1S/C5H5ClN4O/c6-4-8-5(11)9-10(4)3-1-2-7/h1,3H2,(H,9,11)