(2S)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-N-prop-2-enyl-propanethioamide

Systemtic Name: (2S)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-N-prop-2-enyl-propanethioamide Openeye Name: (2S)-N-allyl-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-methyl-3-nitro-phenyl)-3-oxo-propanethioamide CAS Name: (2S)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(4-methyl-3-nitrophenyl)-3-oxo-N-prop-2-enylpropanethioamide IUPAC Name: (2S)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-methyl-3-nitrophenyl)-3-oxo-N-prop-2-enylpropanethioamide Traditional Name: (2S)-N-allyl-2-(4-tert-butylpyridin-1-ium-1-yl)-3-keto-3-(4-methyl-3-nitro-phenyl)thiopropionamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C(=S)NCC=C)[N+]2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@@H](C(=S)NCC=C)[N+]2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O3S/c1-6-11-23-21(29)19(24-12-9-17(10-13-24)22(3,4)5)20(26)16-8-7-15(2)18(14-16)25(27)28/h6-10,12-14,19H,1,11H2,2-5H3/p+1/t19-/m0/s1