2-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-5-phenyl-1,2,3,4-tetrazole

Systemtic Name: 2-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-5-phenyl-1,2,3,4-tetrazole Openeye Name: 2-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-5-phenyl-tetrazole CAS Name: 2-[4-(chloromethyl)-2,5-dimethyl-3-pyrazolyl]-5-phenyltetrazole IUPAC Name: 2-[4-(chloromethyl)-2,5-dimethylpyrazol-3-yl]-5-phenyltetrazole Traditional Name: 2-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-5-phenyl-tetrazole Formula: C13H13ClN6 MolecularWeight: 288.73552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCl)N2N=C(N=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1CCl)N2N=C(N=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C13H13ClN6/c1-9-11(8-14)13(19(2)16-9)20-17-12(15-18-20)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3