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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=CC=C(O2)C3=NNC(=S)N3CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=CC=C(O2)C3=NNC(=S)N3CC(C)C

InChI

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