2-[3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)ethanamide

Systemtic Name: 2-[3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)ethanamide Openeye Name: 2-[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1,2-dimethylpropyl)acetamide CAS Name: 2-[[3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methylbutan-2-yl)acetamide IUPAC Name: 2-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)acetamide Traditional Name: N-(1,2-dimethylpropyl)-2-[[4-keto-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)quinazolin-2-yl]thio]acetamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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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=C3SCC(=O)NC(C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3S/c1-16(2)17(3)27-22(32)15-35-26-28-21-14-10-9-13-20(21)24(33)30(26)23-18(4)29(5)31(25(23)34)19-11-7-6-8-12-19/h6-14,16-17H,15H2,1-5H3,(H,27,32)