5-(2,2-dimethylpropyl)-2-hexyl-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(2,2-dimethylpropyl)-2-hexyl-1H-1,2,4-triazole-3-thione Openeye Name: 5-(2,2-dimethylpropyl)-2-hexyl-1H-1,2,4-triazole-3-thione CAS Name: 5-(2,2-dimethylpropyl)-2-hexyl-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(2,2-dimethylpropyl)-2-hexyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-hexyl-5-neopentyl-1H-1,2,4-triazole-3-thione Formula: C13H25N3S MolecularWeight: 255.4227

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=S)N=C(N1)CC(C)(C)C

Isomeric SMILES

CCCCCCN1C(=S)N=C(N1)CC(C)(C)C

InChI

InChI=1S/C13H25N3S/c1-5-6-7-8-9-16-12(17)14-11(15-16)10-13(2,3)4/h5-10H2,1-4H3,(H,14,15,17)