N-(4-chloranyl-3-methyl-phenyl)-N-(2-cyanoethyl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-N-(2-cyanoethyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-(quinazolin-4-ylthio)acetamide Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)C(=O)CSC2=NC=NC3=CC=CC=C32)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)C(=O)CSC2=NC=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C20H17ClN4OS/c1-14-11-15(7-8-17(14)21)25(10-4-9-22)19(26)12-27-20-16-5-2-3-6-18(16)23-13-24-20/h2-3,5-8,11,13H,4,10,12H2,1H3