5-(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-isobutyl-1,2,4-triazole-3-thiolate CAS Name: 5-(4-bromo-1,5-dimethyl-3-pyrazolyl)-4-(2-methylpropyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-bromo-1,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-isobutyl-1,2,4-triazole-3-thiolate Formula: C11H15BrN5S- MolecularWeight: 329.2393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C2=NN=C(N2CC(C)C)[S-])Br

Isomeric SMILES

CC1=C(C(=NN1C)C2=NN=C(N2CC(C)C)[S-])Br

InChI

InChI=1S/C11H16BrN5S/c1-6(2)5-17-10(13-14-11(17)18)9-8(12)7(3)16(4)15-9/h6H,5H2,1-4H3,(H,14,18)/p-1