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

Systemtic Name: 3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-isobutyl-3-[5-[(4-methoxyphenoxy)methyl]-2-furyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[5-[(4-methoxyphenoxy)methyl]-2-furanyl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-isobutyl-3-[5-[(4-methoxyphenoxy)methyl]-2-furyl]-1H-1,2,4-triazole-5-thione Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-12(2)10-21-17(19-20-18(21)25)16-9-8-15(24-16)11-23-14-6-4-13(22-3)5-7-14/h4-9,12H,10-11H2,1-3H3,(H,20,25)