tert-butyl 2-(4-phenylphthalazin-1-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(4-phenylphthalazin-1-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(4-phenylphthalazin-1-yl)sulfanylacetate CAS Name: 2-[(4-phenyl-1-phthalazinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-phenylphthalazin-1-yl)sulfanylacetate Traditional Name: 2-[(4-phenylphthalazin-1-yl)thio]acetic acid tert-butyl ester Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O2S/c1-20(2,3)24-17(23)13-25-19-16-12-8-7-11-15(16)18(21-22-19)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3