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4-(phthalazin-1-ylsulfanylmethyl)benzoic acid

4-(phthalazin-1-ylsulfanylmethyl)benzoic acid

Systemtic Name:4-(phthalazin-1-ylsulfanylmethyl)benzoic acid
Openeye Name:4-(phthalazin-1-ylsulfanylmethyl)benzoic acid
CAS Name:4-[(1-phthalazinylthio)methyl]benzoic acid
IUPAC Name:4-(phthalazin-1-ylsulfanylmethyl)benzoic acid
Traditional Name:4-[(phthalazin-1-ylthio)methyl]benzoic acid
Formula: C16H12N2O2S
MolecularWeight: 296.34368
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SCC3=CC=C(C=C3)C(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SCC3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C16H12N2O2S/c19-16(20)12-7-5-11(6-8-12)10-21-15-14-4-2-1-3-13(14)9-17-18-15/h1-9H,10H2,(H,19,20)


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