methyl 2-[3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-oxo-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)quinazolin-2-yl]thio]acetic acid methyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)OC

InChI

InChI=1S/C22H20N4O4S/c1-14-19(21(29)26(24(14)2)15-9-5-4-6-10-15)25-20(28)16-11-7-8-12-17(16)23-22(25)31-13-18(27)30-3/h4-12H,13H2,1-3H3