3-(7-methyl-2-oxidanyl-octan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(7-methyl-2-oxidanyl-octan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[1-(2-hydroxypropyl)-4-methyl-pentyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-hydroxy-7-methyloctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-hydroxy-7-methyloctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[1-(2-hydroxypropyl)-4-methyl-pentyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C17H25N3OS MolecularWeight: 319.4649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC(C)O)C1=NNC(=S)N1C2=CC=CC=C2

Isomeric SMILES

CC(C)CCC(CC(C)O)C1=NNC(=S)N1C2=CC=CC=C2

InChI

InChI=1S/C17H25N3OS/c1-12(2)9-10-14(11-13(3)21)16-18-19-17(22)20(16)15-7-5-4-6-8-15/h4-8,12-14,21H,9-11H2,1-3H3,(H,19,22)