3-[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[5-[(4-tert-butylphenoxy)methyl]-2-furyl]-4-isobutyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[5-[(4-tert-butylphenoxy)methyl]-2-furanyl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[5-[(4-tert-butylphenoxy)methyl]-2-furyl]-4-isobutyl-1H-1,2,4-triazole-5-thione Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NNC1=S)C2=CC=C(O2)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)CN1C(=NNC1=S)C2=CC=C(O2)COC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H27N3O2S/c1-14(2)12-24-19(22-23-20(24)27)18-11-10-17(26-18)13-25-16-8-6-15(7-9-16)21(3,4)5/h6-11,14H,12-13H2,1-5H3,(H,23,27)