2-[[3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-oxo-2-quinazolinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-keto-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)quinazolin-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C28H21N5O4S MolecularWeight: 523.56244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SCN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SCN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C28H21N5O4S/c1-17-23(27(37)33(30(17)2)18-10-4-3-5-11-18)32-26(36)21-14-8-9-15-22(21)29-28(32)38-16-31-24(34)19-12-6-7-13-20(19)25(31)35/h3-15H,16H2,1-2H3