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

Systemtic Name: 3-(3-oxidanyloctyl)-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3OS/c1-2-3-5-10-14(20)11-12-15-17-18-16(21)19(15)13-8-6-4-7-9-13/h4,6-9,14,20H,2-3,5,10-12H2,1H3,(H,18,21)