(4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C23H16N4O3S MolecularWeight: 428.46314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C23H16N4O3S/c28-22-16-9-4-5-10-17(16)24-21(25-22)14-30-23(29)19-13-18(20-11-6-12-31-20)26-27(19)15-7-2-1-3-8-15/h1-13H,14H2,(H,24,25,28)