N-[4-(cyanomethyl)phenyl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H18N4O2S/c1-2-13-25-20(27)17-5-3-4-6-18(17)24-21(25)28-14-19(26)23-16-9-7-15(8-10-16)11-12-22/h2-10H,1,11,13-14H2,(H,23,26)