N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N,3-dimethyl-N-[[4-(methylthio)phenyl]methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N,3-dimethyl-N-[4-(methylthio)benzyl]phthalazine-1-carboxamide Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C19H19N3O2S/c1-21(12-13-8-10-14(25-3)11-9-13)19(24)17-15-6-4-5-7-16(15)18(23)22(2)20-17/h4-11H,12H2,1-3H3