(2S)-3-[4-[(2S)-butan-2-yl]phenyl]-N-ethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: (2S)-3-[4-[(2S)-butan-2-yl]phenyl]-N-ethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2S)-N-ethyl-3-[4-[(1S)-1-methylpropyl]phenyl]-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2S)-3-[4-[(2S)-butan-2-yl]phenyl]-N-ethyl-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2S)-3-[4-[(2S)-butan-2-yl]phenyl]-N-ethyl-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2S)-N-ethyl-3-keto-3-[4-[(1S)-1-methylpropyl]phenyl]-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C20H24N2OS MolecularWeight: 340.48236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2OS/c1-4-15(3)16-9-11-17(12-10-16)19(23)18(20(24)21-5-2)22-13-7-6-8-14-22/h6-15,18H,4-5H2,1-3H3/t15-,18-/m0/s1