(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C24H17ClN4O3S MolecularWeight: 476.93478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)Cl)C5=CC=CC=C5

InChI

InChI=1S/C24H17ClN4O3S/c1-14-19(21(25)29(28-14)16-10-6-3-7-11-16)24(31)32-12-18-26-22(30)20-17(13-33-23(20)27-18)15-8-4-2-5-9-15/h2-11,13H,12H2,1H3,(H,26,27,30)