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

Systemtic Name: 4-cyclopropyl-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-(morpholin-4-ium-4-ylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-(4-morpholin-4-iumylmethyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-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:

C1CC1N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CN=CC=C4

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CN=CC=C4

InChI

InChI=1S/C15H19N5OS/c22-15-19(11-18-6-8-21-9-7-18)17-14(20(15)13-3-4-13)12-2-1-5-16-10-12/h1-2,5,10,13H,3-4,6-9,11H2/p+1