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

Systemtic Name: 3-(3,4-dichlorophenyl)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-allyl-3-(3,4-dichlorophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-(3,4-dichlorophenyl)-3-oxo-N-prop-2-enyl-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: 3-(3,4-dichlorophenyl)-3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-allyl-3-(3,4-dichlorophenyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C17H15Cl2N2OS+ MolecularWeight: 366.2848

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)C(C(=O)C1=CC(=C(C=C1)Cl)Cl)[N+]2=CC=CC=C2

Isomeric SMILES

C=CCNC(=S)C(C(=O)C1=CC(=C(C=C1)Cl)Cl)[N+]2=CC=CC=C2

InChI

InChI=1S/C17H14Cl2N2OS/c1-2-8-20-17(23)15(21-9-4-3-5-10-21)16(22)12-6-7-13(18)14(19)11-12/h2-7,9-11,15H,1,8H2/p+1