4-[(4-oxidanidyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(4-oxidanidyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(4-oxido-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-oxido-6-phenyl-2-pyrimidinyl)thio]methyl]benzoate IUPAC Name: 4-[(4-oxido-6-phenylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-oxido-6-phenyl-pyrimidin-2-yl)thio]methyl]benzoate Formula: C18H12N2O3S-2 MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)[O-])[O-]

InChI

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