1-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2H-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2H-1,2,3,4-tetrazol-5-one Openeye Name: 1-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2H-tetrazol-5-one CAS Name: 1-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-2H-tetrazol-5-one IUPAC Name: 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2H-tetrazol-5-one Traditional Name: 1-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2H-tetrazol-5-one Formula: C13H14N6O MolecularWeight: 270.28986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)N3C(=O)N=NN3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)N3C(=O)N=NN3

InChI

InChI=1S/C13H14N6O/c1-9-12(19-13(20)14-16-17-19)10(2)18(15-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,17,20)