2-[4-(2-phenylethynyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

Systemtic Name: 2-[4-(2-phenylethynyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Openeye Name: 2-[4-(2-phenylethynyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)butanenitrile CAS Name: 2-[4-(2-phenylethynyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)butanenitrile IUPAC Name: 2-[4-(2-phenylethynyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Traditional Name: 2-[4-(2-phenylethynyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)butyronitrile Formula: C21H18N4 MolecularWeight: 326.39442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C21H18N4/c1-2-21(14-22,15-25-17-23-16-24-25)20-12-10-19(11-13-20)9-8-18-6-4-3-5-7-18/h3-7,10-13,16-17H,2,15H2,1H3