[2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-[(4-chlorophenoxy)methyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl ester Formula: C23H20ClN3O4S MolecularWeight: 469.9406

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN3O4S/c1-2-11-27-22(28)19-6-4-3-5-18(19)21(26-27)23(29)31-12-16-14-32-20(25-16)13-30-17-9-7-15(24)8-10-17/h3-10,14H,2,11-13H2,1H3