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

Systemtic Name: 5-(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)-4-(furan-2-ylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-(2-furylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-bromo-1,5-dimethyl-3-pyrazolyl)-4-(2-furanylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-bromo-1,5-dimethylpyrazol-3-yl)-4-(furan-2-ylmethyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-(2-furfuryl)-1,2,4-triazole-3-thiolate Formula: C12H11BrN5OS- MolecularWeight: 353.21764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C2=NN=C(N2CC3=CC=CO3)[S-])Br

Isomeric SMILES

CC1=C(C(=NN1C)C2=NN=C(N2CC3=CC=CO3)[S-])Br

InChI

InChI=1S/C12H12BrN5OS/c1-7-9(13)10(16-17(7)2)11-14-15-12(20)18(11)6-8-4-3-5-19-8/h3-5H,6H2,1-2H3,(H,15,20)/p-1