3-(3,4-dichlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanimidothioate

Systemtic Name: 3-(3,4-dichlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: N-allyl-3-(3,4-dichlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-propanimidothioate CAS Name: 3-(3,4-dichlorophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: 3-(3,4-dichlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: N-allyl-3-(3,4-dichlorophenyl)-3-keto-2-(3-methylolpyridin-1-ium-1-yl)thiopropionimidate Formula: C18H16Cl2N2O2S MolecularWeight: 395.30284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N2O2S/c1-2-7-21-18(25)16(22-8-3-4-12(10-22)11-23)17(24)13-5-6-14(19)15(20)9-13/h2-6,8-10,16,23H,1,7,11H2