N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C27H31N5O2S MolecularWeight: 489.63234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C27H31N5O2S/c1-18(2)16-31-25(34)20-13-9-10-14-21(20)28-26(31)35-17-24(33)29-23-15-22(27(3,4)5)30-32(23)19-11-7-6-8-12-19/h6-15,18H,16-17H2,1-5H3,(H,29,33)