(2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,4-dimethylphenyl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate

Systemtic Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,4-dimethylphenyl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: (2R)-N-allyl-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,4-dimethylphenyl)-3-oxo-propanimidothioate CAS Name: (2R)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(3,4-dimethylphenyl)-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,4-dimethylphenyl)-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: (2R)-N-allyl-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,4-dimethylphenyl)-3-keto-thiopropionimidate Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2OS/c1-7-12-24-22(27)20(21(26)18-9-8-16(2)17(3)15-18)25-13-10-19(11-14-25)23(4,5)6/h7-11,13-15,20H,1,12H2,2-6H3/t20-/m1/s1