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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C24H18N4O3S MolecularWeight: 442.48972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=NC(=O)C4=C(N3)C=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=NC(=O)C4=C(N3)C=CS4)C5=CC=CC=C5

InChI

InChI=1S/C24H18N4O3S/c1-15-7-9-16(10-8-15)21-18(13-28(27-21)17-5-3-2-4-6-17)24(30)31-14-20-25-19-11-12-32-22(19)23(29)26-20/h2-13H,14H2,1H3,(H,25,26,29)