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

Systemtic Name: 5-(azepan-1-ium-1-ylmethyl)-4-ethyl-1,2,4-triazole-3-thiolate Openeye Name: 5-(azepan-1-ium-1-ylmethyl)-4-ethyl-1,2,4-triazole-3-thiolate CAS Name: 5-(1-azepan-1-iumylmethyl)-4-ethyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(azepan-1-ium-1-ylmethyl)-4-ethyl-1,2,4-triazole-3-thiolate Traditional Name: 5-(azepan-1-ium-1-ylmethyl)-4-ethyl-1,2,4-triazole-3-thiolate Formula: C11H20N4S MolecularWeight: 240.3683

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1[S-])C[NH+]2CCCCCC2

Isomeric SMILES

CCN1C(=NN=C1[S-])C[NH+]2CCCCCC2

InChI

InChI=1S/C11H20N4S/c1-2-15-10(12-13-11(15)16)9-14-7-5-3-4-6-8-14/h2-9H2,1H3,(H,13,16)