3-(5-chloranylthiophen-2-yl)-3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: N-benzyl-3-(5-chloro-2-thienyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: 3-(5-chloro-2-thiophenyl)-3-oxo-N-(phenylmethyl)-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: N-benzyl-3-(5-chlorothiophen-2-yl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: N-benzyl-3-(5-chloro-2-thienyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C19H15ClN2OS2 MolecularWeight: 386.9182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2OS2/c20-16-10-9-15(25-16)18(23)17(22-11-5-2-6-12-22)19(24)21-13-14-7-3-1-4-8-14/h1-12,17H,13H2