4-ethyl-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-(morpholin-4-ium-4-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-(4-morpholin-4-iumylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-(morpholin-4-ium-4-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C14H20N5OS+ MolecularWeight: 306.4065

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=NC=C3

InChI

InChI=1S/C14H19N5OS/c1-2-18-13(12-3-5-15-6-4-12)16-19(14(18)21)11-17-7-9-20-10-8-17/h3-6H,2,7-11H2,1H3/p+1