5-[(4-oxidanidyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: 5-[(4-oxidanidyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(4-oxido-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[(4-oxido-6-phenyl-2-pyrimidinyl)thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(4-oxido-6-phenylpyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(4-oxido-6-phenyl-pyrimidin-2-yl)thio]methyl]-2-thenoate Formula: C16H10N2O3S2-2 MolecularWeight: 342.3922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(S3)C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(S3)C(=O)[O-])[O-]

InChI

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