methyl 2-[4-(phenylmethyl)phthalazin-1-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4-(phenylmethyl)phthalazin-1-yl]sulfanylethanoate Openeye Name: methyl 2-(4-benzylphthalazin-1-yl)sulfanylacetate CAS Name: 2-[[4-(phenylmethyl)-1-phthalazinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-benzylphthalazin-1-yl)sulfanylacetate Traditional Name: 2-[(4-benzylphthalazin-1-yl)thio]acetic acid methyl ester Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NN=C(C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O2S/c1-22-17(21)12-23-18-15-10-6-5-9-14(15)16(19-20-18)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3