N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C18H12F3N3O3S MolecularWeight: 407.36639

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C18H12F3N3O3S/c19-18(20,21)17-23-12-4-2-1-3-11(12)16(24-17)28-8-15(25)22-10-5-6-13-14(7-10)27-9-26-13/h1-7H,8-9H2,(H,22,25)