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

Systemtic Name: 3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: 3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: 3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: 3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: 3-(2-chlorophenyl)-3-keto-N-p-anisyl-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C22H19ClN2O2S MolecularWeight: 410.91646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN=C(C(C(=O)C2=CC=CC=C2Cl)[N+]3=CC=CC=C3)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)CN=C(C(C(=O)C2=CC=CC=C2Cl)[N+]3=CC=CC=C3)[S-]

InChI

InChI=1S/C22H19ClN2O2S/c1-27-17-11-9-16(10-12-17)15-24-22(28)20(25-13-5-2-6-14-25)21(26)18-7-3-4-8-19(18)23/h2-14,20H,15H2,1H3