N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-ethanamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-ethanamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-acetamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-2-[(2-cyclopropyl-4-quinazolinyl)thio]-N-methylacetamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methylacetamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-2-[(2-cyclopropylquinazolin-4-yl)thio]-N-methyl-acetamide Formula: C21H19ClFN3OS MolecularWeight: 415.911463

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4

InChI

InChI=1S/C21H19ClFN3OS/c1-26(11-15-16(22)6-4-7-17(15)23)19(27)12-28-21-14-5-2-3-8-18(14)24-20(25-21)13-9-10-13/h2-8,13H,9-12H2,1H3