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

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-(morpholin-4-ium-4-ylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-(4-morpholin-4-iumylmethyl)-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-(morpholin-4-ium-4-ylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C15H20N5OS+ MolecularWeight: 318.4172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5OS/c1-2-6-19-14(13-4-3-5-16-11-13)17-20(15(19)22)12-18-7-9-21-10-8-18/h2-5,11H,1,6-10,12H2/p+1