5-(azocan-1-ium-1-ylmethyl)-4-ethyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(azocan-1-ium-1-ylmethyl)-4-ethyl-1,2,4-triazole-3-thiolate Openeye Name: 5-(azocan-1-ium-1-ylmethyl)-4-ethyl-1,2,4-triazole-3-thiolate CAS Name: 5-(1-azocan-1-iumylmethyl)-4-ethyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(azocan-1-ium-1-ylmethyl)-4-ethyl-1,2,4-triazole-3-thiolate Traditional Name: 5-(azocan-1-ium-1-ylmethyl)-4-ethyl-1,2,4-triazole-3-thiolate Formula: C12H22N4S MolecularWeight: 254.39488

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1[S-])C[NH+]2CCCCCCC2

Isomeric SMILES

CCN1C(=NN=C1[S-])C[NH+]2CCCCCCC2

InChI

InChI=1S/C12H22N4S/c1-2-16-11(13-14-12(16)17)10-15-8-6-4-3-5-7-9-15/h2-10H2,1H3,(H,14,17)