methyl 2-[(4-oxidanylidene-3H-phthalazin-1-yl)methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[(4-oxidanylidene-3H-phthalazin-1-yl)methylsulfanyl]ethanoate Openeye Name: methyl 2-[(4-oxo-3H-phthalazin-1-yl)methylsulfanyl]acetate CAS Name: 2-[(4-oxo-3H-phthalazin-1-yl)methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-oxo-3H-phthalazin-1-yl)methylsulfanyl]acetate Traditional Name: 2-[(4-keto-3H-phthalazin-1-yl)methylthio]acetic acid methyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

COC(=O)CSCC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C12H12N2O3S/c1-17-11(15)7-18-6-10-8-4-2-3-5-9(8)12(16)14-13-10/h2-5H,6-7H2,1H3,(H,14,16)