(2S)-3-(2-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(furan-2-ylmethyl)-3-oxidanylidene-propanimidothioate

Systemtic Name: (2S)-3-(2-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(furan-2-ylmethyl)-3-oxidanylidene-propanimidothioate Openeye Name: (2S)-3-(2-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-furylmethyl)-3-oxo-propanimidothioate CAS Name: (2S)-3-(2-chlorophenyl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-(2-furanylmethyl)-3-oxopropanimidothioate IUPAC Name: (2S)-3-(2-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(furan-2-ylmethyl)-3-oxopropanimidothioate Traditional Name: (2S)-3-(2-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-furfuryl)-3-keto-thiopropionimidate Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(C(=O)C2=CC=CC=C2Cl)C(=NCC3=CC=CO3)[S-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)[C@@H](C(=O)C2=CC=CC=C2Cl)C(=NCC3=CC=CO3)[S-]

InChI

InChI=1S/C21H20ClN3O2S/c1-24(2)15-9-11-25(12-10-15)19(20(26)17-7-3-4-8-18(17)22)21(28)23-14-16-6-5-13-27-16/h3-13,19H,14H2,1-2H3/t19-/m0/s1