2-phenyl-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile

Systemtic Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile Openeye Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile CAS Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile IUPAC Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile Traditional Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)valeronitrile Formula: C14H16N4 MolecularWeight: 240.30364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C=NC=N1)(C#N)C2=CC=CC=C2

Isomeric SMILES

CCCC(CN1C=NC=N1)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C14H16N4/c1-2-8-14(9-15,10-18-12-16-11-17-18)13-6-4-3-5-7-13/h3-7,11-12H,2,8,10H2,1H3