5-[(4-bromanylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-bromanylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-bromophenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazole-3-thiolate Formula: C16H13BrN3OS- MolecularWeight: 375.26292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2[S-])COC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2[S-])COC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN3OS/c17-13-6-8-14(9-7-13)21-11-15-18-19-16(22)20(15)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,22)/p-1