N,3-dimethyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N,3-dimethyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N,3-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N,3-dimethyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: N,3-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N,3-dimethyl-phthalazine-1-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C20H20N4O3S/c1-23(12-17(25)21-15-10-6-7-11-16(15)28-3)20(27)18-13-8-4-5-9-14(13)19(26)24(2)22-18/h4-11H,12H2,1-3H3,(H,21,25)