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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C23H15ClN4O3S MolecularWeight: 462.9082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)OCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)OCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C23H15ClN4O3S/c24-14-8-9-16-18(11-14)25-20(26-22(16)29)13-31-23(30)17-12-28(15-5-2-1-3-6-15)27-21(17)19-7-4-10-32-19/h1-12H,13H2,(H,25,26,29)