(2S)-3-(5-chloranylthiophen-2-yl)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: (2S)-3-(5-chloranylthiophen-2-yl)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2S)-3-(5-chloro-2-thienyl)-N-(2-furylmethyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2S)-3-(5-chloro-2-thiophenyl)-N-(2-furanylmethyl)-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2S)-3-(5-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2S)-3-(5-chloro-2-thienyl)-N-(2-furfuryl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C17H13ClN2O2S2 MolecularWeight: 376.88032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(C(=O)C2=CC=C(S2)Cl)C(=NCC3=CC=CO3)[S-]

Isomeric SMILES

C1=CC=[N+](C=C1)[C@@H](C(=O)C2=CC=C(S2)Cl)C(=NCC3=CC=CO3)[S-]

InChI

InChI=1S/C17H13ClN2O2S2/c18-14-7-6-13(24-14)16(21)15(20-8-2-1-3-9-20)17(23)19-11-12-5-4-10-22-12/h1-10,15H,11H2/t15-/m0/s1