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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-3-oxidanylidene-2-pyridin-1-ium-1-yl-3-thiophen-2-yl-propanimidothioate Openeye Name: N-[(4-methoxyphenyl)methyl]-3-oxo-2-pyridin-1-ium-1-yl-3-(2-thienyl)propanimidothioate CAS Name: N-[(4-methoxyphenyl)methyl]-3-oxo-2-(1-pyridin-1-iumyl)-3-thiophen-2-ylpropanimidothioate IUPAC Name: N-[(4-methoxyphenyl)methyl]-3-oxo-2-pyridin-1-ium-1-yl-3-thiophen-2-ylpropanimidothioate Traditional Name: 3-keto-N-p-anisyl-2-pyridin-1-ium-1-yl-3-(2-thienyl)thiopropionimidate Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN=C(C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)CN=C(C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)[S-]

InChI

InChI=1S/C20H18N2O2S2/c1-24-16-9-7-15(8-10-16)14-21-20(25)18(22-11-3-2-4-12-22)19(23)17-6-5-13-26-17/h2-13,18H,14H2,1H3