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

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-4-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-4-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-azepan-1-iumylmethyl)-4-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-4-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-4-ethyl-1H-1,2,4-triazole-5-thione Formula: C11H21N4S+ MolecularWeight: 241.37624

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)C[NH+]2CCCCCC2

Isomeric SMILES

CCN1C(=NNC1=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)/p+1