1,5-dimethyl-2-phenyl-4-(1,2,3,4-tetrazol-1-yl)pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(1,2,3,4-tetrazol-1-yl)pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-(tetrazol-1-yl)pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-(1-tetrazolyl)-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-(tetrazol-1-yl)pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-(tetrazol-1-yl)-3-pyrazolin-3-one Formula: C12H12N6O MolecularWeight: 256.26328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=NN=N3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=NN=N3

InChI

InChI=1S/C12H12N6O/c1-9-11(17-8-13-14-15-17)12(19)18(16(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3