(2S)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-fluorophenyl)-3-oxidanylidene-N-(phenylmethyl)propanimidothioate

Systemtic Name: (2S)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-fluorophenyl)-3-oxidanylidene-N-(phenylmethyl)propanimidothioate Openeye Name: (2S)-N-benzyl-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-fluorophenyl)-3-oxo-propanimidothioate CAS Name: (2S)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(4-fluorophenyl)-3-oxo-N-(phenylmethyl)propanimidothioate IUPAC Name: (2S)-N-benzyl-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-fluorophenyl)-3-oxopropanimidothioate Traditional Name: (2S)-N-benzyl-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-fluorophenyl)-3-keto-thiopropionimidate Formula: C25H25FN2OS MolecularWeight: 420.542203

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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)F)C(=NCC3=CC=CC=C3)[S-]

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)[C@@H](C(=O)C2=CC=C(C=C2)F)C(=NCC3=CC=CC=C3)[S-]

InChI

InChI=1S/C25H25FN2OS/c1-25(2,3)20-13-15-28(16-14-20)22(23(29)19-9-11-21(26)12-10-19)24(30)27-17-18-7-5-4-6-8-18/h4-16,22H,17H2,1-3H3/t22-/m0/s1