3-[[5-(9H-fluoren-9-yl)-2-oxidanylidene-4-sulfanylidene-pyrimidin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[5-(9H-fluoren-9-yl)-2-oxidanylidene-4-sulfanylidene-pyrimidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[5-(9H-fluoren-9-yl)-2-oxo-4-thioxo-pyrimidin-1-yl]methyl]benzoic acid CAS Name: 3-[[5-(9H-fluoren-9-yl)-2-oxo-4-sulfanylidene-1-pyrimidinyl]methyl]benzoic acid IUPAC Name: 3-[[5-(9H-fluoren-9-yl)-2-oxo-4-sulfanylidenepyrimidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[5-(9H-fluoren-9-yl)-2-keto-4-thioxo-pyrimidin-1-yl]methyl]benzoic acid Formula: C25H18N2O3S MolecularWeight: 426.48702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)C4=CN(C(=O)NC4=S)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)C4=CN(C(=O)NC4=S)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C25H18N2O3S/c28-24(29)16-7-5-6-15(12-16)13-27-14-21(23(31)26-25(27)30)22-19-10-3-1-8-17(19)18-9-2-4-11-20(18)22/h1-12,14,22H,13H2,(H,28,29)(H,26,30,31)