2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxidanylidene-propanimidothioate

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxidanylidene-propanimidothioate Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxo-propanimidothioate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxopropanimidothioate IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxopropanimidothioate Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-keto-thiopropionimidate Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(C(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3=CC=C(C=C3)C(C)(C)C)[S-]

Isomeric SMILES

CCN=C(C(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3=CC=C(C=C3)C(C)(C)C)[S-]

InChI

InChI=1S/C22H26N2O3S/c1-5-23-21(28)19(24-10-8-16(9-11-24)22(2,3)4)20(25)15-6-7-17-18(14-15)27-13-12-26-17/h6-11,14,19H,5,12-13H2,1-4H3