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

Systemtic Name: 4-[(3-bromanyl-4-methoxy-phenyl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[(3-bromo-4-methoxy-phenyl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[(3-bromo-4-methoxyphenyl)methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(3-bromo-4-methoxyphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-bromo-4-methoxy-benzyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiolate Formula: C15H12BrN4OS- MolecularWeight: 376.25098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=NN=C2[S-])C3=CN=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=NN=C2[S-])C3=CN=CC=C3)Br

InChI

InChI=1S/C15H13BrN4OS/c1-21-13-5-4-10(7-12(13)16)9-20-14(18-19-15(20)22)11-3-2-6-17-8-11/h2-8H,9H2,1H3,(H,19,22)/p-1