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

Systemtic Name: 3-(2-oxidanyloctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[1-(2-hydroxypropyl)pentyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-hydroxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-hydroxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[1-(2-hydroxypropyl)pentyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3OS/c1-3-4-8-13(11-12(2)20)15-17-18-16(21)19(15)14-9-6-5-7-10-14/h5-7,9-10,12-13,20H,3-4,8,11H2,1-2H3,(H,18,21)