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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C19H16N4OS/c1-13-21-17-5-3-2-4-16(17)19(22-13)25-12-18(24)23-15-8-6-14(7-9-15)10-11-20/h2-9H,10,12H2,1H3,(H,23,24)