methyl 2-(4-phenylsulfanylphthalazin-1-yl)ethanoate

Systemtic Name: methyl 2-(4-phenylsulfanylphthalazin-1-yl)ethanoate Openeye Name: methyl 2-(4-phenylsulfanylphthalazin-1-yl)acetate CAS Name: 2-[4-(phenylthio)-1-phthalazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-phenylsulfanylphthalazin-1-yl)acetate Traditional Name: 2-[4-(phenylthio)phthalazin-1-yl]acetic acid methyl ester Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN=C(C2=CC=CC=C21)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=NN=C(C2=CC=CC=C21)SC3=CC=CC=C3

InChI

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