3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxymethyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxymethyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(2,2-dimethylcoumaran-7-yl)oxymethyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=CC4=C3OC(C4)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=CC4=C3OC(C4)(C)C

InChI

InChI=1S/C20H21N3O2S/c1-13-7-9-15(10-8-13)23-17(21-22-19(23)26)12-24-16-6-4-5-14-11-20(2,3)25-18(14)16/h4-10H,11-12H2,1-3H3,(H,22,26)