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

Systemtic Name: 3-hexyl-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-hexyl-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-hexyl-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-hexyl-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-hexyl-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NNC(=S)N1C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=NNC(=S)N1C2=CC=CC=C2

InChI

InChI=1S/C14H19N3S/c1-2-3-4-8-11-13-15-16-14(18)17(13)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,16,18)