5-[(4-methoxyphenoxy)methyl]-4-methyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-[(4-methoxyphenoxy)methyl]-4-methyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-[(4-methoxyphenoxy)methyl]-4-methyl-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-[(4-methoxyphenoxy)methyl]-4-methyl-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-methoxyphenoxy)methyl]-4-methyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-[(4-methoxyphenoxy)methyl]-4-methyl-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC2C3=CC=CS3)COC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC[C@@H]2C3=CC=CS3)COC4=CC=C(C=C4)OC

InChI

InChI=1S/C20H24N4O2S2/c1-22-19(13-26-16-9-7-15(25-2)8-10-16)21-24(20(22)27)14-23-11-3-5-17(23)18-6-4-12-28-18/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3/p+1/t17-/m1/s1