2-[4-(phenylmethyl)phthalazin-1-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(phenylmethyl)phthalazin-1-yl]sulfanylethanoic acid Openeye Name: 2-(4-benzylphthalazin-1-yl)sulfanylacetic acid CAS Name: 2-[[4-(phenylmethyl)-1-phthalazinyl]thio]acetic acid IUPAC Name: 2-(4-benzylphthalazin-1-yl)sulfanylacetic acid Traditional Name: 2-[(4-benzylphthalazin-1-yl)thio]acetic acid Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)SCC(=O)O

InChI

InChI=1S/C17H14N2O2S/c20-16(21)11-22-17-14-9-5-4-8-13(14)15(18-19-17)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)