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

Systemtic Name: methyl 2-(4-phenylphthalazin-1-yl)sulfanylethanoate Openeye Name: methyl 2-(4-phenylphthalazin-1-yl)sulfanylacetate CAS Name: 2-[(4-phenyl-1-phthalazinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-phenylphthalazin-1-yl)sulfanylacetate Traditional Name: 2-[(4-phenylphthalazin-1-yl)thio]acetic acid methyl ester Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O2S/c1-21-15(20)11-22-17-14-10-6-5-9-13(14)16(18-19-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3