propan-2-yl 2-(4-phenylphthalazin-1-yl)sulfanylethanoate

Systemtic Name: propan-2-yl 2-(4-phenylphthalazin-1-yl)sulfanylethanoate Openeye Name: isopropyl 2-(4-phenylphthalazin-1-yl)sulfanylacetate CAS Name: 2-[(4-phenyl-1-phthalazinyl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(4-phenylphthalazin-1-yl)sulfanylacetate Traditional Name: 2-[(4-phenylphthalazin-1-yl)thio]acetic acid isopropyl ester Formula: C19H18N2O2S MolecularWeight: 338.42342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O2S/c1-13(2)23-17(22)12-24-19-16-11-7-6-10-15(16)18(20-21-19)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3