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

Systemtic Name: 3-(3-oxidanylnonyl)-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C17H25N3OS MolecularWeight: 319.4649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC1=NNC(=S)N1C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCC(CCC1=NNC(=S)N1C2=CC=CC=C2)O

InChI

InChI=1S/C17H25N3OS/c1-2-3-4-8-11-15(21)12-13-16-18-19-17(22)20(16)14-9-6-5-7-10-14/h5-7,9-10,15,21H,2-4,8,11-13H2,1H3,(H,19,22)