4-[3-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid

Systemtic Name: 4-[3-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid Openeye Name: 4-[3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid CAS Name: 4-[3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propoxy]benzoic acid IUPAC Name: 4-[3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid Traditional Name: 4-[3-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propoxy]benzoic acid Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N2O4S/c23-18-13-17(14-5-2-1-3-6-14)21-20(22-18)27-12-4-11-26-16-9-7-15(8-10-16)19(24)25/h1-3,5-10,13H,4,11-12H2,(H,24,25)(H,21,22,23)