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

Systemtic Name: 3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[[4-(1-methyl-1-phenyl-ethyl)phenoxy]methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[(4-cumylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=NNC(=S)N3CC=C

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=NNC(=S)N3CC=C

InChI

InChI=1S/C21H23N3OS/c1-4-14-24-19(22-23-20(24)26)15-25-18-12-10-17(11-13-18)21(2,3)16-8-6-5-7-9-16/h4-13H,1,14-15H2,2-3H3,(H,23,26)