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

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-(quinazolin-4-ylthio)acetamide Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4OS/c20-11-6-12-23(15-7-2-1-3-8-15)18(24)13-25-19-16-9-4-5-10-17(16)21-14-22-19/h1-5,7-10,14H,6,12-13H2