4-(4-bromophenyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-bromophenyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-bromophenyl)-5-[(4-isopropoxyphenyl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(4-bromophenyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-bromophenyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-bromophenyl)-5-(4-isopropoxybenzyl)-1,2,4-triazole-3-thiolate Formula: C18H17BrN3OS- MolecularWeight: 403.31608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)Br)[S-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)Br)[S-]

InChI

InChI=1S/C18H18BrN3OS/c1-12(2)23-16-9-3-13(4-10-16)11-17-20-21-18(24)22(17)15-7-5-14(19)6-8-15/h3-10,12H,11H2,1-2H3,(H,21,24)/p-1