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

Systemtic Name: (2S)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-(furan-2-ylmethyl)-3-oxidanylidene-3-(4-phenylphenyl)propanimidothioate Openeye Name: (2S)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-(2-furylmethyl)-3-oxo-3-(4-phenylphenyl)propanimidothioate CAS Name: (2S)-2-(4-tert-butyl-1-pyridin-1-iumyl)-N-(2-furanylmethyl)-3-oxo-3-(4-phenylphenyl)propanimidothioate IUPAC Name: (2S)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-(furan-2-ylmethyl)-3-oxo-3-(4-phenylphenyl)propanimidothioate Traditional Name: (2S)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-(2-furfuryl)-3-keto-3-(4-phenylphenyl)thiopropionimidate Formula: C29H28N2O2S MolecularWeight: 468.60982

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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)C3=CC=CC=C3)C(=NCC4=CC=CO4)[S-]

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)[C@@H](C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=NCC4=CC=CO4)[S-]

InChI

InChI=1S/C29H28N2O2S/c1-29(2,3)24-15-17-31(18-16-24)26(28(34)30-20-25-10-7-19-33-25)27(32)23-13-11-22(12-14-23)21-8-5-4-6-9-21/h4-19,26H,20H2,1-3H3/t26-/m0/s1