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

Systemtic Name: 4-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-(4-morpholin-4-iumylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C13H19N4OS2+ MolecularWeight: 311.44616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCOCC2)CC3=CC=CS3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCOCC2)CC3=CC=CS3

InChI

InChI=1S/C13H18N4OS2/c1-15-12(9-11-3-2-8-20-11)14-17(13(15)19)10-16-4-6-18-7-5-16/h2-3,8H,4-7,9-10H2,1H3/p+1