N-ethyl-3-oxidanylidene-2-(3-phenylpyridin-1-ium-1-yl)-3-thiophen-2-yl-propanimidothioate

Systemtic Name: N-ethyl-3-oxidanylidene-2-(3-phenylpyridin-1-ium-1-yl)-3-thiophen-2-yl-propanimidothioate Openeye Name: N-ethyl-3-oxo-2-(3-phenylpyridin-1-ium-1-yl)-3-(2-thienyl)propanimidothioate CAS Name: N-ethyl-3-oxo-2-(3-phenyl-1-pyridin-1-iumyl)-3-thiophen-2-ylpropanimidothioate IUPAC Name: N-ethyl-3-oxo-2-(3-phenylpyridin-1-ium-1-yl)-3-thiophen-2-ylpropanimidothioate Traditional Name: N-ethyl-3-keto-2-(3-phenylpyridin-1-ium-1-yl)-3-(2-thienyl)thiopropionimidate Formula: C20H18N2OS2 MolecularWeight: 366.49972

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(C(C(=O)C1=CC=CS1)[N+]2=CC=CC(=C2)C3=CC=CC=C3)[S-]

Isomeric SMILES

CCN=C(C(C(=O)C1=CC=CS1)[N+]2=CC=CC(=C2)C3=CC=CC=C3)[S-]

InChI

InChI=1S/C20H18N2OS2/c1-2-21-20(24)18(19(23)17-11-7-13-25-17)22-12-6-10-16(14-22)15-8-4-3-5-9-15/h3-14,18H,2H2,1H3