N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C18H13F2N3O3S MolecularWeight: 389.375926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C18H13F2N3O3S/c1-10-21-13-5-3-2-4-12(13)17(22-10)27-9-16(24)23-11-6-7-14-15(8-11)26-18(19,20)25-14/h2-8H,9H2,1H3,(H,23,24)