propyl 4-(4-ethylsulfanylphthalazin-1-yl)benzoate

Systemtic Name: propyl 4-(4-ethylsulfanylphthalazin-1-yl)benzoate Openeye Name: propyl 4-(4-ethylsulfanylphthalazin-1-yl)benzoate CAS Name: 4-[4-(ethylthio)-1-phthalazinyl]benzoic acid propyl ester IUPAC Name: propyl 4-(4-ethylsulfanylphthalazin-1-yl)benzoate Traditional Name: 4-[4-(ethylthio)phthalazin-1-yl]benzoic acid propyl ester Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC

InChI

InChI=1S/C20H20N2O2S/c1-3-13-24-20(23)15-11-9-14(10-12-15)18-16-7-5-6-8-17(16)19(22-21-18)25-4-2/h5-12H,3-4,13H2,1-2H3