5-(3-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(3-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(3-bromophenyl)-4-(2-methylallyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(3-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(3-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(3-bromophenyl)-4-(2-methylallyl)-1,2,4-triazole-3-thiolate Formula: C12H11BrN3S- MolecularWeight: 309.20484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NN=C1[S-])C2=CC(=CC=C2)Br

Isomeric SMILES

CC(=C)CN1C(=NN=C1[S-])C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H12BrN3S/c1-8(2)7-16-11(14-15-12(16)17)9-4-3-5-10(13)6-9/h3-6H,1,7H2,2H3,(H,15,17)/p-1