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

Systemtic Name: 4-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-(4-morpholin-4-iumylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C13H18N5OS+ MolecularWeight: 292.37992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=NC=C3

InChI

InChI=1S/C13H17N5OS/c1-16-12(11-2-4-14-5-3-11)15-18(13(16)20)10-17-6-8-19-9-7-17/h2-5H,6-10H2,1H3/p+1