5-(3,5-dimethoxyphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(3,5-dimethoxyphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3,5-dimethoxyphenyl)-3-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3,5-dimethoxyphenyl)-3-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3,5-dimethoxyphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3,5-dimethoxyphenyl)-3-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCCC3C4=CC=CS4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCC[C@H]3C4=CC=CS4)OC

InChI

InChI=1S/C19H21N3O3S2/c1-23-14-9-13(10-15(11-14)24-2)18-20-22(19(26)25-18)12-21-7-3-5-16(21)17-6-4-8-27-17/h4,6,8-11,16H,3,5,7,12H2,1-2H3/p+1/t16-/m0/s1