5-[2-(5-ethylpyridin-2-yl)ethoxy]-2-oxidanylidene-3-(phenylmethyl)-1,2,3-thiadiazolidin-2-ium-4-one

Systemtic Name: 5-[2-(5-ethylpyridin-2-yl)ethoxy]-2-oxidanylidene-3-(phenylmethyl)-1,2,3-thiadiazolidin-2-ium-4-one Openeye Name: 3-benzyl-5-[2-(5-ethyl-2-pyridyl)ethoxy]-2-oxo-thiadiazolidin-2-ium-4-one CAS Name: 5-[2-(5-ethyl-2-pyridinyl)ethoxy]-2-oxo-3-(phenylmethyl)-4-thiadiazolidin-2-iumone IUPAC Name: 3-benzyl-5-[2-(5-ethylpyridin-2-yl)ethoxy]-2-oxothiadiazolidin-2-ium-4-one Traditional Name: 3-benzyl-5-[2-(5-ethyl-2-pyridyl)ethoxy]-2-keto-thiadiazolidin-2-ium-4-one Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)CCOC2C(=O)N([N+](=O)S2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CN=C(C=C1)CCOC2C(=O)N([N+](=O)S2)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N3O3S/c1-2-14-8-9-16(19-12-14)10-11-24-18-17(22)20(21(23)25-18)13-15-6-4-3-5-7-15/h3-9,12,18H,2,10-11,13H2,1H3/q+1