(2S)-3-(5-chloranylthiophen-2-yl)-3-oxidanylidene-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-prop-2-enyl-propanimidothioate

Systemtic Name: (2S)-3-(5-chloranylthiophen-2-yl)-3-oxidanylidene-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-prop-2-enyl-propanimidothioate Openeye Name: (2S)-N-allyl-3-(5-chloro-2-thienyl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-3-oxo-propanimidothioate CAS Name: (2S)-3-(5-chloro-2-thiophenyl)-3-oxo-2-(4-pentan-3-yl-1-pyridin-1-iumyl)-N-prop-2-enylpropanimidothioate IUPAC Name: (2S)-3-(5-chlorothiophen-2-yl)-3-oxo-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-prop-2-enylpropanimidothioate Traditional Name: (2S)-N-allyl-3-(5-chloro-2-thienyl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-3-keto-thiopropionimidate Formula: C20H23ClN2OS2 MolecularWeight: 406.99242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2OS2/c1-4-11-22-20(25)18(19(24)16-7-8-17(21)26-16)23-12-9-15(10-13-23)14(5-2)6-3/h4,7-10,12-14,18H,1,5-6,11H2,2-3H3/t18-/m0/s1