5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C17H16N3OS- MolecularWeight: 310.39344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)[S-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)[S-]

InChI

InChI=1S/C17H17N3OS/c1-12-7-6-8-13(2)16(12)21-11-15-18-19-17(22)20(15)14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H,19,22)/p-1