3-(5-methyl-5-oxidanyl-hexan-3-yl)-4-prop-2-enyl-3H-1,2,4-triazole-5-thione

Systemtic Name: 3-(5-methyl-5-oxidanyl-hexan-3-yl)-4-prop-2-enyl-3H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-(1-ethyl-3-hydroxy-3-methyl-butyl)-3H-1,2,4-triazole-5-thione CAS Name: 3-(5-hydroxy-5-methylhexan-3-yl)-4-prop-2-enyl-3H-1,2,4-triazole-5-thione IUPAC Name: 3-(5-hydroxy-5-methylhexan-3-yl)-4-prop-2-enyl-3H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-(1-ethyl-3-hydroxy-3-methyl-butyl)-3H-1,2,4-triazole-5-thione Formula: C12H21N3OS MolecularWeight: 255.37964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(C)O)C1N=NC(=S)N1CC=C

Isomeric SMILES

CCC(CC(C)(C)O)C1N=NC(=S)N1CC=C

InChI

InChI=1S/C12H21N3OS/c1-5-7-15-10(13-14-11(15)17)9(6-2)8-12(3,4)16/h5,9-10,16H,1,6-8H2,2-4H3