3-[(4-oxidanidyl-6-thiophen-2-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(4-oxidanidyl-6-thiophen-2-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 3-[[4-oxido-6-(2-thienyl)pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[(4-oxido-6-thiophen-2-yl-2-pyrimidinyl)thio]methyl]benzoate IUPAC Name: 3-[(4-oxido-6-thiophen-2-ylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[[4-oxido-6-(2-thienyl)pyrimidin-2-yl]thio]methyl]benzoate Formula: C16H10N2O3S2-2 MolecularWeight: 342.3922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC(=CC(=N2)[O-])C3=CC=CS3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC(=CC(=N2)[O-])C3=CC=CS3)C(=O)[O-]

InChI

InChI=1S/C16H12N2O3S2/c19-14-8-12(13-5-2-6-22-13)17-16(18-14)23-9-10-3-1-4-11(7-10)15(20)21/h1-8H,9H2,(H,20,21)(H,17,18,19)/p-2