(4-methylsulfanylphenyl)methyl 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid [4-(methylthio)benzyl] ester Formula: C19H18N2O4S MolecularWeight: 370.42222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

InChI

InChI=1S/C19H18N2O4S/c1-26-14-8-6-13(7-9-14)12-25-19(24)17-15-4-2-3-5-16(15)18(23)21(20-17)10-11-22/h2-9,22H,10-12H2,1H3