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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxidanylidene-2-(3-phenylpyridin-1-ium-1-yl)propanimidothioate Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxo-2-(3-phenylpyridin-1-ium-1-yl)propanimidothioate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxo-2-(3-phenyl-1-pyridin-1-iumyl)propanimidothioate IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxo-2-(3-phenylpyridin-1-ium-1-yl)propanimidothioate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-keto-2-(3-phenylpyridin-1-ium-1-yl)thiopropionimidate Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(C(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3=CC=CC(=C3)C4=CC=CC=C4)[S-]

Isomeric SMILES

CCN=C(C(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3=CC=CC(=C3)C4=CC=CC=C4)[S-]

InChI

InChI=1S/C24H22N2O3S/c1-2-25-24(30)22(23(27)18-10-11-20-21(15-18)29-14-13-28-20)26-12-6-9-19(16-26)17-7-4-3-5-8-17/h3-12,15-16,22H,2,13-14H2,1H3