N-[3-(2-pyridin-2-ylethynyl)phenyl]-4-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate

Systemtic Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-4-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate Openeye Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-4-(2H-tetrazol-5-yl)benzenecarboximidate CAS Name: N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-4-(2H-tetrazol-5-yl)benzenecarboximidate IUPAC Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-4-(2H-tetrazol-5-yl)benzenecarboximidate Traditional Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-4-(2H-tetrazol-5-yl)benzenecarboximidate Formula: C21H13N6O- MolecularWeight: 365.36752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)N=C(C3=CC=C(C=C3)C4=NNN=N4)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)N=C(C3=CC=C(C=C3)C4=NNN=N4)[O-]

InChI

InChI=1S/C21H14N6O/c28-21(17-10-8-16(9-11-17)20-24-26-27-25-20)23-19-6-3-4-15(14-19)7-12-18-5-1-2-13-22-18/h1-6,8-11,13-14H,(H,23,28)(H,24,25,26,27)/p-1