(2S)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: (2S)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2S)-3-(4-tert-butylphenyl)-N-(2-furylmethyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2S)-3-(4-tert-butylphenyl)-N-(2-furanylmethyl)-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2S)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2S)-3-(4-tert-butylphenyl)-N-(2-furfuryl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C23H24N2O2S MolecularWeight: 392.51386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(C(=NCC2=CC=CO2)[S-])[N+]3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)[C@@H](C(=NCC2=CC=CO2)[S-])[N+]3=CC=CC=C3

InChI

InChI=1S/C23H24N2O2S/c1-23(2,3)18-11-9-17(10-12-18)21(26)20(25-13-5-4-6-14-25)22(28)24-16-19-8-7-15-27-19/h4-15,20H,16H2,1-3H3/t20-/m0/s1