4-azanyl-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-azanyl-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-amino-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-amino-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-amino-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-amino-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-triazole-3-thiolate Formula: C11H13N4OS- MolecularWeight: 249.31212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NN=C(N2N)[S-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NN=C(N2N)[S-])C

InChI

InChI=1S/C11H14N4OS/c1-7-3-4-9(5-8(7)2)16-6-10-13-14-11(17)15(10)12/h3-5H,6,12H2,1-2H3,(H,14,17)/p-1