(3-methylphenyl) 2-(4-methylphthalazin-1-yl)sulfanylethanoate

Systemtic Name: (3-methylphenyl) 2-(4-methylphthalazin-1-yl)sulfanylethanoate Openeye Name: m-tolyl 2-(4-methylphthalazin-1-yl)sulfanylacetate CAS Name: 2-[(4-methyl-1-phthalazinyl)thio]acetic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 2-(4-methylphthalazin-1-yl)sulfanylacetate Traditional Name: 2-[(4-methylphthalazin-1-yl)thio]acetic acid m-tolyl ester Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)CSC2=NN=C(C3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)CSC2=NN=C(C3=CC=CC=C32)C

InChI

InChI=1S/C18H16N2O2S/c1-12-6-5-7-14(10-12)22-17(21)11-23-18-16-9-4-3-8-15(16)13(2)19-20-18/h3-10H,11H2,1-2H3