3-[2-(4-methylphenyl)sulfanylethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-(4-methylphenyl)sulfanylethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[2-(p-tolylsulfanyl)ethyl]phthalazine-1-carboxylate CAS Name: 3-[2-[(4-methylphenyl)thio]ethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(4-methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-(p-tolylthio)ethyl]phthalazine-1-carboxylate Formula: C18H15N2O3S- MolecularWeight: 339.3883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C18H16N2O3S/c1-12-6-8-13(9-7-12)24-11-10-20-17(21)15-5-3-2-4-14(15)16(19-20)18(22)23/h2-9H,10-11H2,1H3,(H,22,23)/p-1