2-[(4-oxidanidylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 2-[(4-oxidanidylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 2-[(4-oxidopyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-oxido-2-pyrimidinyl)thio]methyl]benzoate IUPAC Name: 2-[(4-oxidopyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-oxidopyrimidin-2-yl)thio]methyl]benzoate Formula: C12H8N2O3S-2 MolecularWeight: 260.26852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O3S/c15-10-5-6-13-12(14-10)18-7-8-3-1-2-4-9(8)11(16)17/h1-6H,7H2,(H,16,17)(H,13,14,15)/p-2