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

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]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)N2C4CC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5O2S/c1-26(2,3)21-15-22(31(29-21)18-9-5-4-6-10-18)28-23(32)16-34-25-27-20-12-8-7-11-19(20)24(33)30(25)17-13-14-17/h4-12,15,17H,13-14,16H2,1-3H3,(H,28,32)