2-[[(4S)-6-carbazol-9-yl-4-methyl-4-phenyl-5H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[(4S)-6-carbazol-9-yl-4-methyl-4-phenyl-5H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[(4S)-6-carbazol-9-yl-4-methyl-4-phenyl-5H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[(4S)-6-(9-carbazolyl)-4-methyl-4-phenyl-5H-pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[(4S)-6-carbazol-9-yl-4-methyl-4-phenyl-5H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(4S)-6-carbazol-9-yl-4-methyl-4-phenyl-5H-pyrimidin-2-yl]thio]acetate Formula: C25H20N3O2S- MolecularWeight: 426.5102

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NC(=N1)SCC(=O)[O-])N2C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5

Isomeric SMILES

C[C@]1(CC(=NC(=N1)SCC(=O)[O-])N2C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O2S/c1-25(17-9-3-2-4-10-17)15-22(26-24(27-25)31-16-23(29)30)28-20-13-7-5-11-18(20)19-12-6-8-14-21(19)28/h2-14H,15-16H2,1H3,(H,29,30)/p-1/t25-/m0/s1