4-(2-morpholin-4-ium-4-ylethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2-morpholin-4-ium-4-ylethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-morpholin-4-ium-4-ylethyl)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-(4-morpholin-4-iumyl)ethyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-morpholin-4-ium-4-ylethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-morpholin-4-ium-4-ylethyl)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C13H18N5OS+ MolecularWeight: 292.37992

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=NNC2=S)C3=CC=NC=C3

Isomeric SMILES

C1COCC[NH+]1CCN2C(=NNC2=S)C3=CC=NC=C3

InChI

InChI=1S/C13H17N5OS/c20-13-16-15-12(11-1-3-14-4-2-11)18(13)6-5-17-7-9-19-10-8-17/h1-4H,5-10H2,(H,16,20)/p+1