N-[4-(cyanomethyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[[4-(ethylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[[4-(ethylamino)quinazolin-2-yl]thio]acetamide Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C20H19N5OS/c1-2-22-19-16-5-3-4-6-17(16)24-20(25-19)27-13-18(26)23-15-9-7-14(8-10-15)11-12-21/h3-10H,2,11,13H2,1H3,(H,23,26)(H,22,24,25)