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

Systemtic Name: N-methyl-3-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-methyl-3-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-methyl-3-[[methyl-[[4-(methylthio)phenyl]methyl]amino]methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-methyl-3-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-3-[[methyl-[4-(methylthio)benzyl]amino]methyl]phthalazine-1-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H22N4O2S/c1-21-19(25)18-16-6-4-5-7-17(16)20(26)24(22-18)13-23(2)12-14-8-10-15(27-3)11-9-14/h4-11H,12-13H2,1-3H3,(H,21,25)