3-[(4-methylsulfanylphenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[(4-methylsulfanylphenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(4-methylsulfanylphenyl)methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[[4-(methylthio)phenyl]methyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(4-methylsulfanylphenyl)methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[4-(methylthio)benzyl]phthalazine-1-carboxylate Formula: C17H13N2O3S- MolecularWeight: 325.36172

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C17H14N2O3S/c1-23-12-8-6-11(7-9-12)10-19-16(20)14-5-3-2-4-13(14)15(18-19)17(21)22/h2-9H,10H2,1H3,(H,21,22)/p-1