N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C4=CC=CC=C4

InChI

InChI=1S/C26H27N5O2S/c1-5-15-30-24(33)19-13-9-10-14-20(19)27-25(30)34-17-23(32)28-22-16-21(26(2,3)4)29-31(22)18-11-7-6-8-12-18/h5-14,16H,1,15,17H2,2-4H3,(H,28,32)