4-[2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid

Systemtic Name: 4-[2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]ethoxy]benzoic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16N2O4S/c22-17-12-16(13-4-2-1-3-5-13)20-19(21-17)26-11-10-25-15-8-6-14(7-9-15)18(23)24/h1-9,12H,10-11H2,(H,23,24)(H,20,21,22)