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

Systemtic Name: 4-(2-methoxyethyl)-3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-methoxyethyl)-3-[[4-(1-methyl-1-phenyl-ethyl)phenoxy]methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methoxyethyl)-3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-methoxyethyl)-3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(4-cumylphenoxy)methyl]-4-(2-methoxyethyl)-1H-1,2,4-triazole-5-thione Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=NNC(=S)N3CCOC

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=NNC(=S)N3CCOC

InChI

InChI=1S/C21H25N3O2S/c1-21(2,16-7-5-4-6-8-16)17-9-11-18(12-10-17)26-15-19-22-23-20(27)24(19)13-14-25-3/h4-12H,13-15H2,1-3H3,(H,23,27)