(2R)-3-[4-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylpyridin-1-ium-1-yl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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@H](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/c1-7-15-26-24(29)22(27-16-13-21(14-17-27)25(4,5)6)23(28)20-11-9-19(10-12-20)18(3)8-2/h7,9-14,16-18,22H,1,8,15H2,2-6H3/t18-,22+/m0/s1