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

Systemtic Name: (2S)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,4-dichlorophenyl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: (2S)-N-allyl-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,4-dichlorophenyl)-3-oxo-propanimidothioate CAS Name: (2S)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(3,4-dichlorophenyl)-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: (2S)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,4-dichlorophenyl)-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: (2S)-N-allyl-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,4-dichlorophenyl)-3-keto-thiopropionimidate Formula: C21H22Cl2N2OS MolecularWeight: 421.38318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N2OS/c1-5-10-24-20(27)18(19(26)14-6-7-16(22)17(23)13-14)25-11-8-15(9-12-25)21(2,3)4/h5-9,11-13,18H,1,10H2,2-4H3/t18-/m0/s1