N-(2-cyclopentylpyrazol-3-yl)-2-[3-(2-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(2-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(2-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[[3-(2-ethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[[3-(2-ethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=NN4C5CCCC5

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=NN4C5CCCC5

InChI

InChI=1S/C26H27N5O2S/c1-2-18-9-3-8-14-22(18)30-25(33)20-12-6-7-13-21(20)28-26(30)34-17-24(32)29-23-15-16-27-31(23)19-10-4-5-11-19/h3,6-9,12-16,19H,2,4-5,10-11,17H2,1H3,(H,29,32)