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

Systemtic Name: 3-(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-bromo-1,5-dimethyl-3-pyrazolyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-bromo-1,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione Formula: C13H11BrFN5S MolecularWeight: 368.227343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C2=NNC(=S)N2C3=CC=C(C=C3)F)Br

Isomeric SMILES

CC1=C(C(=NN1C)C2=NNC(=S)N2C3=CC=C(C=C3)F)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)