4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(4-methylsulfanylphenyl)methyl]phthalazin-1-one

Systemtic Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(4-methylsulfanylphenyl)methyl]phthalazin-1-one Openeye Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(4-methylsulfanylphenyl)methyl]phthalazin-1-one CAS Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[4-(methylthio)phenyl]methyl]-1-phthalazinone IUPAC Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(4-methylsulfanylphenyl)methyl]phthalazin-1-one Traditional Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(methylthio)benzyl]phthalazin-1-one Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C20H19N5OS/c1-13-11-18(23-22-13)21-19-16-5-3-4-6-17(16)20(26)25(24-19)12-14-7-9-15(27-2)10-8-14/h3-11H,12H2,1-2H3,(H2,21,22,23,24)