5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1H-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1H-1,2,4-triazole-3-thiolate CAS Name: 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Traditional Name: 5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Formula: C13H16N3OS- MolecularWeight: 262.35064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3OS/c1-8(2)10-5-4-9(3)6-11(10)17-7-12-14-13(18)16-15-12/h4-6,8H,7H2,1-3H3,(H2,14,15,16,18)/p-1