(2R)-3-(5-chloranylthiophen-2-yl)-3-oxidanylidene-N-prop-2-enyl-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate

Systemtic Name: (2R)-3-(5-chloranylthiophen-2-yl)-3-oxidanylidene-N-prop-2-enyl-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate Openeye Name: (2R)-N-allyl-3-(5-chloro-2-thienyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate CAS Name: (2R)-3-(5-chloro-2-thiophenyl)-3-oxo-N-prop-2-enyl-2-(4-propyl-1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-3-(5-chlorothiophen-2-yl)-3-oxo-N-prop-2-enyl-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate Traditional Name: (2R)-N-allyl-3-(5-chloro-2-thienyl)-3-keto-2-(4-propylpyridin-1-ium-1-yl)thiopropionimidate Formula: C18H19ClN2OS2 MolecularWeight: 378.93926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(C(=O)C2=CC=C(S2)Cl)C(=NCC=C)[S-]

Isomeric SMILES

CCCC1=CC=[N+](C=C1)[C@H](C(=O)C2=CC=C(S2)Cl)C(=NCC=C)[S-]

InChI

InChI=1S/C18H19ClN2OS2/c1-3-5-13-8-11-21(12-9-13)16(18(23)20-10-4-2)17(22)14-6-7-15(19)24-14/h4,6-9,11-12,16H,2-3,5,10H2,1H3/t16-/m1/s1