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

Systemtic Name: 5-(furan-2-yl)-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-4-methyl-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C12H17N4O2S+ MolecularWeight: 281.35398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=CO3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=CO3

InChI

InChI=1S/C12H16N4O2S/c1-14-11(10-3-2-6-18-10)13-16(12(14)19)9-15-4-7-17-8-5-15/h2-3,6H,4-5,7-9H2,1H3/p+1