3-(2-oxidanylheptyl)-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(2-oxidanylheptyl)-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(2-hydroxyheptyl)-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-hydroxyheptyl)-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-hydroxyheptyl)-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-hydroxyheptyl)-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C15H21N3OS MolecularWeight: 291.41174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC1=NNC(=S)N1C2=CC=CC=C2)O

Isomeric SMILES

CCCCCC(CC1=NNC(=S)N1C2=CC=CC=C2)O

InChI

InChI=1S/C15H21N3OS/c1-2-3-5-10-13(19)11-14-16-17-15(20)18(14)12-8-6-4-7-9-12/h4,6-9,13,19H,2-3,5,10-11H2,1H3,(H,17,20)