3-(2-oxidanyloctan-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(2-oxidanyloctan-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[1-(2-hydroxypropyl)pentyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-hydroxyoctan-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-hydroxyoctan-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[1-(2-hydroxypropyl)pentyl]-1H-1,2,4-triazole-5-thione Formula: C13H23N3OS MolecularWeight: 269.40622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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