3-[1-(2-methylpropoxy)-2-oxidanyl-octan-4-yl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[1-(2-methylpropoxy)-2-oxidanyl-octan-4-yl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[1-(2-hydroxy-3-isobutoxy-propyl)pentyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-hydroxy-1-(2-methylpropoxy)octan-4-yl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-hydroxy-1-(2-methylpropoxy)octan-4-yl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[1-(2-hydroxy-3-isobutoxy-propyl)pentyl]-1H-1,2,4-triazole-5-thione Formula: C17H31N3O2S MolecularWeight: 341.51194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(COCC(C)C)O)C1=NNC(=S)N1CC=C

Isomeric SMILES

CCCCC(CC(COCC(C)C)O)C1=NNC(=S)N1CC=C

InChI

InChI=1S/C17H31N3O2S/c1-5-7-8-14(10-15(21)12-22-11-13(3)4)16-18-19-17(23)20(16)9-6-2/h6,13-15,21H,2,5,7-12H2,1,3-4H3,(H,19,23)