5-[5-[[4-oxidanylidene-6-(4-phenylphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[5-[[4-oxidanylidene-6-(4-phenylphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid Openeye Name: 5-[5-[[4-oxo-6-(4-phenylphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid CAS Name: 5-[5-[[4-oxo-6-(4-phenylphenyl)-1H-pyrimidin-2-yl]thio]pentyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[5-[[4-oxo-6-(4-phenylphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid Traditional Name: 5-[5-[[4-keto-6-(4-phenylphenyl)-1H-pyrimidin-2-yl]thio]pentyl]-2-thenoic acid Formula: C26H24N2O3S2 MolecularWeight: 476.61036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=O)N=C(N3)SCCCCCC4=CC=C(S4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=O)N=C(N3)SCCCCCC4=CC=C(S4)C(=O)O

InChI

InChI=1S/C26H24N2O3S2/c29-24-17-22(20-12-10-19(11-13-20)18-7-3-1-4-8-18)27-26(28-24)32-16-6-2-5-9-21-14-15-23(33-21)25(30)31/h1,3-4,7-8,10-15,17H,2,5-6,9,16H2,(H,30,31)(H,27,28,29)