(4-methylsulfanylphenyl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (4-methylsulfanylphenyl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (4-methylsulfanylphenyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [4-(methylthio)phenyl] ester Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H18N2O3S/c1-29-18-13-11-17(12-14-18)28-23(27)21-19-9-5-6-10-20(19)22(26)25(24-21)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3