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

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-N-[4-(methylthio)benzyl]-3H-phthalazine-1-carboxamide Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H17N3O2S/c1-21(11-12-7-9-13(24-2)10-8-12)18(23)16-14-5-3-4-6-15(14)17(22)20-19-16/h3-10H,11H2,1-2H3,(H,20,22)