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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1[S-])C2=NN(C(=C2Br)C)C

Isomeric SMILES

CCCCN1C(=NN=C1[S-])C2=NN(C(=C2Br)C)C

InChI

InChI=1S/C11H16BrN5S/c1-4-5-6-17-10(13-14-11(17)18)9-8(12)7(2)16(3)15-9/h4-6H2,1-3H3,(H,14,18)/p-1