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

Systemtic Name: 5-(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-bromo-1,5-dimethyl-3-pyrazolyl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-bromo-1,5-dimethylpyrazol-3-yl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-p-phenetyl-1,2,4-triazole-3-thiolate Formula: C15H15BrN5OS- MolecularWeight: 393.2815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2[S-])C3=NN(C(=C3Br)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2[S-])C3=NN(C(=C3Br)C)C

InChI

InChI=1S/C15H16BrN5OS/c1-4-22-11-7-5-10(6-8-11)21-14(17-18-15(21)23)13-12(16)9(2)20(3)19-13/h5-8H,4H2,1-3H3,(H,18,23)/p-1