N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C20H18N4O2S2/c1-2-24-19(26)14-7-3-4-8-15(14)23-20(24)28-13-18(25)22-16-9-5-6-10-17(16)27-12-11-21/h3-10H,2,12-13H2,1H3,(H,22,25)