3-(2-methyl-6-oxidanyl-heptan-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(2-methyl-6-oxidanyl-heptan-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[1-(2-hydroxypropyl)-3-methyl-butyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-hydroxy-6-methylheptan-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-hydroxy-6-methylheptan-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[1-(2-hydroxypropyl)-3-methyl-butyl]-1H-1,2,4-triazole-5-thione Formula: C13H23N3OS MolecularWeight: 269.40622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3OS/c1-5-6-16-12(14-15-13(16)18)11(7-9(2)3)8-10(4)17/h5,9-11,17H,1,6-8H2,2-4H3,(H,15,18)