[4-(1,3-dithiolan-2-yl)phenyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C24H18N2O3S2 MolecularWeight: 446.54132

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C24H18N2O3S2/c27-22-20-9-5-4-8-19(20)21(25-26(22)17-6-2-1-3-7-17)23(28)29-18-12-10-16(11-13-18)24-30-14-15-31-24/h1-13,24H,14-15H2