3-(2,4-dichlorophenyl)-3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: 3-(2,4-dichlorophenyl)-3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-benzyl-3-(2,4-dichlorophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-(2,4-dichlorophenyl)-3-oxo-N-(phenylmethyl)-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: N-benzyl-3-(2,4-dichlorophenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-benzyl-3-(2,4-dichlorophenyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C21H17Cl2N2OS+ MolecularWeight: 416.34348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16Cl2N2OS/c22-16-9-10-17(18(23)13-16)20(26)19(25-11-5-2-6-12-25)21(27)24-14-15-7-3-1-4-8-15/h1-13,19H,14H2/p+1