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

Systemtic Name: 4-(2-methoxyethyl)-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2-methoxyethyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-methoxyethyl)-2-(4-morpholin-4-iumylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methoxyethyl)-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2-methoxyethyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C15H22N5O2S+ MolecularWeight: 336.43248

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=NC=C3

Isomeric SMILES

COCCN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=NC=C3

InChI

InChI=1S/C15H21N5O2S/c1-21-9-8-19-14(13-2-4-16-5-3-13)17-20(15(19)23)12-18-6-10-22-11-7-18/h2-5H,6-12H2,1H3/p+1