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

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: N-allyl-3-(5-chloro-2-thienyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: 3-(5-chloro-2-thiophenyl)-3-oxo-N-prop-2-enyl-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: 3-(5-chlorothiophen-2-yl)-3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: N-allyl-3-(5-chloro-2-thienyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C15H13ClN2OS2 MolecularWeight: 336.85952

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(C(C(=O)C1=CC=C(S1)Cl)[N+]2=CC=CC=C2)[S-]

Isomeric SMILES

C=CCN=C(C(C(=O)C1=CC=C(S1)Cl)[N+]2=CC=CC=C2)[S-]

InChI

InChI=1S/C15H13ClN2OS2/c1-2-8-17-15(20)13(18-9-4-3-5-10-18)14(19)11-6-7-12(16)21-11/h2-7,9-10,13H,1,8H2