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

Systemtic Name: (2R)-3-(4-tert-butylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: (2R)-N-allyl-3-(4-tert-butylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-oxo-propanimidothioate CAS Name: (2R)-3-(4-tert-butylphenyl)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: (2R)-3-(4-tert-butylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: (2R)-N-allyl-3-(4-tert-butylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-keto-thiopropionimidate Formula: C25H32N2OS MolecularWeight: 408.59938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2OS/c1-8-15-26-23(29)21(27-16-13-20(14-17-27)25(5,6)7)22(28)18-9-11-19(12-10-18)24(2,3)4/h8-14,16-17,21H,1,15H2,2-7H3/t21-/m1/s1