4-tert-butyl-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-tert-butyl-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-tert-butyl-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-tert-butyl-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-tert-butyl-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-tert-butyl-5-propyl-1,2,4-triazole-3-thiolate Formula: C9H16N3S- MolecularWeight: 198.30844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C(C)(C)C)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C(C)(C)C)[S-]

InChI

InChI=1S/C9H17N3S/c1-5-6-7-10-11-8(13)12(7)9(2,3)4/h5-6H2,1-4H3,(H,11,13)/p-1