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

Systemtic Name: 3-(azocan-1-ium-1-ylmethyl)-4-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(azocan-1-ium-1-ylmethyl)-4-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-azocan-1-iumylmethyl)-4-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(azocan-1-ium-1-ylmethyl)-4-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(azocan-1-ium-1-ylmethyl)-4-ethyl-1H-1,2,4-triazole-5-thione Formula: C12H23N4S+ MolecularWeight: 255.40282

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)C[NH+]2CCCCCCC2

Isomeric SMILES

CCN1C(=NNC1=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)/p+1