5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C14H13BrN5S- MolecularWeight: 363.25552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NN=C(N2C3=CC=CC=C3)[S-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=NN=C(N2C3=CC=CC=C3)[S-])C)Br

InChI

InChI=1S/C14H14BrN5S/c1-9-13(15)10(2)19(18-9)8-12-16-17-14(21)20(12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,17,21)/p-1