5-(furan-2-yl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(furan-2-yl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-4-methyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C13H19N4OS+ MolecularWeight: 279.38116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCCC2)C3=CC=CO3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCCCC2)C3=CC=CO3

InChI

InChI=1S/C13H18N4OS/c1-15-12(11-6-5-9-18-11)14-17(13(15)19)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3/p+1