5-(4-ethoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(4-ethoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(4-ethoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(4-ethoxyphenyl)-3-(1-pyrrolidin-1-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(4-ethoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-p-phenetyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCC3

InChI

InChI=1S/C15H19N3O2S/c1-2-19-13-7-5-12(6-8-13)14-16-18(15(21)20-14)11-17-9-3-4-10-17/h5-8H,2-4,9-11H2,1H3/p+1