5-[(2,3-dimethylphenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione

Systemtic Name: 5-[(2,3-dimethylphenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione Openeye Name: 5-[(2,3-dimethylphenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione CAS Name: 5-[(2,3-dimethylphenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione IUPAC Name: 5-[(2,3-dimethylphenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione Traditional Name: 5-[(2,3-dimethylphenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione Formula: C11H13N3OS MolecularWeight: 235.30542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC2=NC(=S)NN2)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC2=NC(=S)NN2)C

InChI

InChI=1S/C11H13N3OS/c1-7-4-3-5-9(8(7)2)15-6-10-12-11(16)14-13-10/h3-5H,6H2,1-2H3,(H2,12,13,14,16)