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

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-quinazolin-4-ylsulfanyl-propanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-quinazolin-4-ylsulfanyl-propanamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-(4-quinazolinylthio)propanamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-quinazolin-4-ylsulfanylpropanamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-(quinazolin-4-ylthio)propionamide Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C20H18N4OS/c1-15(26-19-17-10-5-6-11-18(17)22-14-23-19)20(25)24(13-7-12-21)16-8-3-2-4-9-16/h2-6,8-11,14-15H,7,13H2,1H3