5-(4-bromophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-bromophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-bromophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-bromophenyl)-4-(1,3-dimethyl-4-pyrazolyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-bromophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-bromophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1,2,4-triazole-3-thiolate Formula: C13H11BrN5S- MolecularWeight: 349.22894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1N2C(=NN=C2[S-])C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=NN(C=C1N2C(=NN=C2[S-])C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C13H12BrN5S/c1-8-11(7-18(2)17-8)19-12(15-16-13(19)20)9-3-5-10(14)6-4-9/h3-7H,1-2H3,(H,16,20)/p-1