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

Systemtic Name: 5-(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-bromo-1,5-dimethyl-3-pyrazolyl)-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-bromo-1,5-dimethylpyrazol-3-yl)-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C14H13BrN5OS- MolecularWeight: 379.25492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C2=NN=C(N2C3=CC=CC=C3OC)[S-])Br

Isomeric SMILES

CC1=C(C(=NN1C)C2=NN=C(N2C3=CC=CC=C3OC)[S-])Br

InChI

InChI=1S/C14H14BrN5OS/c1-8-11(15)12(18-19(8)2)13-16-17-14(22)20(13)9-6-4-5-7-10(9)21-3/h4-7H,1-3H3,(H,17,22)/p-1