3-octyl-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-octyl-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-octyl-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-octyl-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-octyl-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-octyl-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C16H23N3S MolecularWeight: 289.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NNC(=S)N1C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=NNC(=S)N1C2=CC=CC=C2

InChI

InChI=1S/C16H23N3S/c1-2-3-4-5-6-10-13-15-17-18-16(20)19(15)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H,18,20)