2-methyl-4-oxidanylidene-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanenitrile

Systemtic Name: 2-methyl-4-oxidanylidene-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanenitrile Openeye Name: 2-methyl-4-oxo-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanenitrile CAS Name: 2-methyl-4-oxo-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanenitrile IUPAC Name: 2-methyl-4-oxo-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanenitrile Traditional Name: 4-keto-2-methyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]valeronitrile Formula: C15H16N4O MolecularWeight: 268.31374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C#N)C1=CC=CC(=C1)CN2C=NC=N2

Isomeric SMILES

CC(=O)CC(C)(C#N)C1=CC=CC(=C1)CN2C=NC=N2

InChI

InChI=1S/C15H16N4O/c1-12(20)7-15(2,9-16)14-5-3-4-13(6-14)8-19-11-17-10-18-19/h3-6,10-11H,7-8H2,1-2H3