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

Systemtic Name: 4-(furan-2-ylmethyl)-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2-furylmethyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-furanylmethyl)-2-(4-morpholin-4-iumylmethyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(furan-2-ylmethyl)-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2-furfuryl)-2-(morpholin-4-ium-4-ylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C17H20N5O2S+ MolecularWeight: 358.438

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CO4

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C17H19N5O2S/c25-17-21(12-15-4-2-8-24-15)16(14-3-1-5-18-11-14)19-22(17)13-20-6-9-23-10-7-20/h1-5,8,11H,6-7,9-10,12-13H2/p+1