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

Systemtic Name: 1-phenyl-4-(2-pyridin-4-ylethyl)-1,2,3,4-tetrazol-5-one Openeye Name: 1-phenyl-4-[2-(4-pyridyl)ethyl]tetrazol-5-one CAS Name: 1-phenyl-4-(2-pyridin-4-ylethyl)-5-tetrazolone IUPAC Name: 1-phenyl-4-(2-pyridin-4-ylethyl)tetrazol-5-one Traditional Name: 1-phenyl-4-[2-(4-pyridyl)ethyl]tetrazol-5-one Formula: C14H13N5O MolecularWeight: 267.28592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)N(N=N2)CCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)N(N=N2)CCC3=CC=NC=C3

InChI

InChI=1S/C14H13N5O/c20-14-18(11-8-12-6-9-15-10-7-12)16-17-19(14)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2