4-hexyl-2,3-dimethyl-3H-1,2,4-triazole-5-thiolate

Systemtic Name: 4-hexyl-2,3-dimethyl-3H-1,2,4-triazole-5-thiolate Openeye Name: 4-hexyl-2,3-dimethyl-3H-1,2,4-triazole-5-thiolate CAS Name: 4-hexyl-2,3-dimethyl-3H-1,2,4-triazole-5-thiolate IUPAC Name: 4-hexyl-2,3-dimethyl-3H-1,2,4-triazole-5-thiolate Traditional Name: 4-hexyl-2,3-dimethyl-3H-1,2,4-triazole-5-thiolate Formula: C10H20N3S- MolecularWeight: 214.3509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(N(N=C1[S-])C)C

Isomeric SMILES

CCCCCCN1C(N(N=C1[S-])C)C

InChI

InChI=1S/C10H21N3S/c1-4-5-6-7-8-13-9(2)12(3)11-10(13)14/h9H,4-8H2,1-3H3,(H,11,14)/p-1