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

Systemtic Name: 3-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H14N2O3S/c21-16-10-15(13-6-2-1-3-7-13)19-18(20-16)24-11-12-5-4-8-14(9-12)17(22)23/h1-10H,11H2,(H,22,23)(H,19,20,21)