3-[[4-(2-phenylethynyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: 3-[[4-(2-phenylethynyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: 3-[[4-(2-phenylethynyl)phenyl]methyleneamino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[4-(2-phenylethynyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-carboxylate IUPAC Name: 3-[[4-(2-phenylethynyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[[4-(2-phenylethynyl)benzylidene]amino]-1H-1,2,4-triazole-5-carboxylate Formula: C18H11N4O2- MolecularWeight: 315.30554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C=NC3=NNC(=N3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C=NC3=NNC(=N3)C(=O)[O-]

InChI

InChI=1S/C18H12N4O2/c23-17(24)16-20-18(22-21-16)19-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-12H,(H,23,24)(H,20,21,22)/p-1