3-(4-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-(phenylmethyl)propanimidothioate

Systemtic Name: 3-(4-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-(phenylmethyl)propanimidothioate Openeye Name: N-benzyl-3-(4-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-propanimidothioate CAS Name: 3-(4-chlorophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxo-N-(phenylmethyl)propanimidothioate IUPAC Name: N-benzyl-3-(4-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxopropanimidothioate Traditional Name: N-benzyl-3-(4-chlorophenyl)-3-keto-2-(3-methylolpyridin-1-ium-1-yl)thiopropionimidate Formula: C22H19ClN2O2S MolecularWeight: 410.91646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O2S/c23-19-10-8-18(9-11-19)21(27)20(25-12-4-7-17(14-25)15-26)22(28)24-13-16-5-2-1-3-6-16/h1-12,14,20,26H,13,15H2