3-(5-chloranylthiophen-2-yl)-3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-benzyl-3-(5-chloro-2-thienyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-(5-chloro-2-thiophenyl)-3-oxo-N-(phenylmethyl)-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: N-benzyl-3-(5-chlorothiophen-2-yl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-benzyl-3-(5-chloro-2-thienyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C19H16ClN2OS2+ MolecularWeight: 387.92614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3

InChI

InChI=1S/C19H15ClN2OS2/c20-16-10-9-15(25-16)18(23)17(22-11-5-2-6-12-22)19(24)21-13-14-7-3-1-4-8-14/h1-12,17H,13H2/p+1