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

Systemtic Name: 3-oxidanylidene-2-(3-phenylpyridin-1-ium-1-yl)-N-prop-2-enyl-3-thiophen-2-yl-propanimidothioate Openeye Name: N-allyl-3-oxo-2-(3-phenylpyridin-1-ium-1-yl)-3-(2-thienyl)propanimidothioate CAS Name: 3-oxo-2-(3-phenyl-1-pyridin-1-iumyl)-N-prop-2-enyl-3-thiophen-2-ylpropanimidothioate IUPAC Name: 3-oxo-2-(3-phenylpyridin-1-ium-1-yl)-N-prop-2-enyl-3-thiophen-2-ylpropanimidothioate Traditional Name: N-allyl-3-keto-2-(3-phenylpyridin-1-ium-1-yl)-3-(2-thienyl)thiopropionimidate Formula: C21H18N2OS2 MolecularWeight: 378.51042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2OS2/c1-2-12-22-21(25)19(20(24)18-11-7-14-26-18)23-13-6-10-17(15-23)16-8-4-3-5-9-16/h2-11,13-15,19H,1,12H2