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

Systemtic Name: 4-ethyl-5-(4-methoxyphenyl)-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-5-(4-methoxyphenyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-(4-methoxyphenyl)-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-5-(4-methoxyphenyl)-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-(4-methoxyphenyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H25N4OS2+ MolecularWeight: 401.5687

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCC2C3=CC=CS3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC[C@@H]2C3=CC=CS3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H24N4OS2/c1-3-23-19(15-8-10-16(25-2)11-9-15)21-24(20(23)26)14-22-12-4-6-17(22)18-7-5-13-27-18/h5,7-11,13,17H,3-4,6,12,14H2,1-2H3/p+1/t17-/m1/s1