1-[4-(2-phenylethynyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)methanimine

Systemtic Name: 1-[4-(2-phenylethynyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)methanimine Openeye Name: 1-[4-(2-phenylethynyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)methanimine CAS Name: 1-[4-(2-phenylethynyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)methanimine IUPAC Name: 1-[4-(2-phenylethynyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)methanimine Traditional Name: (E)-[4-(2-phenylethynyl)benzylidene]-(1H-1,2,4-triazol-5-yl)amine Formula: C17H12N4 MolecularWeight: 272.30398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C=NC3=NC=NN3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)/C=N/C3=NC=NN3

InChI

InChI=1S/C17H12N4/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)12-18-17-19-13-20-21-17/h1-5,8-13H,(H,19,20,21)/b18-12+