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4-(pyrimidin-2-ylsulfanylmethyl)benzoic acid

4-(pyrimidin-2-ylsulfanylmethyl)benzoic acid

Systemtic Name:4-(pyrimidin-2-ylsulfanylmethyl)benzoic acid
Openeye Name:4-(pyrimidin-2-ylsulfanylmethyl)benzoic acid
CAS Name:4-[(2-pyrimidinylthio)methyl]benzoic acid
IUPAC Name:4-(pyrimidin-2-ylsulfanylmethyl)benzoic acid
Traditional Name:4-[(2-pyrimidylthio)methyl]benzoic acid
Formula: C12H10N2O2S
MolecularWeight: 246.285
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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

C1=CN=C(N=C1)SCC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C12H10N2O2S/c15-11(16)10-4-2-9(3-5-10)8-17-12-13-6-1-7-14-12/h1-7H,8H2,(H,15,16)


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