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

Systemtic Name: 3-(3-chloranyl-5-oxidanylidene-1H-1,2,4-triazol-2-yl)-2-methyl-propanenitrile Openeye Name: 3-(3-chloro-5-oxo-1H-1,2,4-triazol-2-yl)-2-methyl-propanenitrile CAS Name: 3-(3-chloro-5-oxo-1H-1,2,4-triazol-2-yl)-2-methylpropanenitrile IUPAC Name: 3-(3-chloro-5-oxo-1H-1,2,4-triazol-2-yl)-2-methylpropanenitrile Traditional Name: 3-(3-chloro-5-keto-1H-1,2,4-triazol-2-yl)-2-methyl-propionitrile Formula: C6H7ClN4O MolecularWeight: 186.59898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7ClN4O/c1-4(2-8)3-11-5(7)9-6(12)10-11/h4H,3H2,1H3,(H,10,12)