5-[(2,3,5-trimethylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(2,3,5-trimethylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2,3,5-trimethylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate CAS Name: 5-[(2,3,5-trimethylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2,3,5-trimethylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Traditional Name: 5-[(2,3,5-trimethylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Formula: C12H14N3OS- MolecularWeight: 248.32406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC2=NC(=NN2)[S-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC2=NC(=NN2)[S-])C)C

InChI

InChI=1S/C12H15N3OS/c1-7-4-8(2)9(3)10(5-7)16-6-11-13-12(17)15-14-11/h4-5H,6H2,1-3H3,(H2,13,14,15,17)/p-1