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

Systemtic Name: 5-(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-bromo-1,5-dimethyl-3-pyrazolyl)-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-bromo-1,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate Formula: C13H10BrFN5S- MolecularWeight: 367.219403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C2=NN=C(N2C3=CC=C(C=C3)F)[S-])Br

Isomeric SMILES

CC1=C(C(=NN1C)C2=NN=C(N2C3=CC=C(C=C3)F)[S-])Br

InChI

InChI=1S/C13H11BrFN5S/c1-7-10(14)11(18-19(7)2)12-16-17-13(21)20(12)9-5-3-8(15)4-6-9/h3-6H,1-2H3,(H,17,21)/p-1