N-(2-cyclopentylpyrazol-3-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-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-(2-cyclopentylpyrazol-3-yl)acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyclopentylpyrazol-3-yl)acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=NN3C4CCCC4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=NN3C4CCCC4

InChI

InChI=1S/C21H23N5O2S/c1-2-13-25-20(28)16-9-5-6-10-17(16)23-21(25)29-14-19(27)24-18-11-12-22-26(18)15-7-3-4-8-15/h2,5-6,9-12,15H,1,3-4,7-8,13-14H2,(H,24,27)