1-phenyl-4-(pyridin-2-ylmethyl)-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-phenyl-4-(pyridin-2-ylmethyl)-1,2,3,4-tetrazol-5-one Openeye Name: 1-phenyl-4-(2-pyridylmethyl)tetrazol-5-one CAS Name: 1-phenyl-4-(2-pyridinylmethyl)-5-tetrazolone IUPAC Name: 1-phenyl-4-(pyridin-2-ylmethyl)tetrazol-5-one Traditional Name: 1-phenyl-4-(2-pyridylmethyl)tetrazol-5-one Formula: C13H11N5O MolecularWeight: 253.25934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)N(N=N2)CC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)N(N=N2)CC3=CC=CC=N3

InChI

InChI=1S/C13H11N5O/c19-13-17(10-11-6-4-5-9-14-11)15-16-18(13)12-7-2-1-3-8-12/h1-9H,10H2