2-naphthalen-2-yl-2-pyrimidin-2-ylsulfanyl-ethanoic acid

Systemtic Name: 2-naphthalen-2-yl-2-pyrimidin-2-ylsulfanyl-ethanoic acid Openeye Name: 2-(2-naphthyl)-2-pyrimidin-2-ylsulfanyl-acetic acid CAS Name: 2-(2-naphthalenyl)-2-(2-pyrimidinylthio)acetic acid IUPAC Name: 2-naphthalen-2-yl-2-pyrimidin-2-ylsulfanylacetic acid Traditional Name: 2-(2-naphthyl)-2-(2-pyrimidylthio)acetic acid Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(C(=O)O)SC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(C(=O)O)SC3=NC=CC=N3

InChI

InChI=1S/C16H12N2O2S/c19-15(20)14(21-16-17-8-3-9-18-16)13-7-6-11-4-1-2-5-12(11)10-13/h1-10,14H,(H,19,20)