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

Systemtic Name: 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1H-1,2,4-triazole-3-thiolate Openeye Name: 5-[[4-(1-methyl-1-phenyl-ethyl)phenoxy]methyl]-1H-1,2,4-triazole-3-thiolate CAS Name: 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1H-1,2,4-triazole-3-thiolate IUPAC Name: 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1H-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-cumylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Formula: C18H18N3OS- MolecularWeight: 324.42002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=NC(=NN3)[S-]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=NC(=NN3)[S-]

InChI

InChI=1S/C18H19N3OS/c1-18(2,13-6-4-3-5-7-13)14-8-10-15(11-9-14)22-12-16-19-17(23)21-20-16/h3-11H,12H2,1-2H3,(H2,19,20,21,23)/p-1