N-(cyanomethyl)-N-phenyl-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(cyanomethyl)-N-phenyl-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(cyanomethyl)-N-phenyl-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(cyanomethyl)-N-phenyl-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(cyanomethyl)-N-phenyl-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(cyanomethyl)-N-phenyl-2-(quinazolin-4-ylthio)acetamide Formula: C18H14N4OS MolecularWeight: 334.39496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C18H14N4OS/c19-10-11-22(14-6-2-1-3-7-14)17(23)12-24-18-15-8-4-5-9-16(15)20-13-21-18/h1-9,13H,11-12H2