3-(5-chloranylthiophen-2-yl)-N-[(4-methoxyphenyl)methyl]-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-N-[(4-methoxyphenyl)methyl]-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: 3-(5-chloro-2-thienyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: 3-(5-chloro-2-thiophenyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: 3-(5-chlorothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: 3-(5-chloro-2-thienyl)-3-keto-N-p-anisyl-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C20H17ClN2O2S2 MolecularWeight: 416.94418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN=C(C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)CN=C(C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3)[S-]

InChI

InChI=1S/C20H17ClN2O2S2/c1-25-15-7-5-14(6-8-15)13-22-20(26)18(23-11-3-2-4-12-23)19(24)16-9-10-17(21)27-16/h2-12,18H,13H2,1H3