N-[[4-ethyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[4-ethyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-ethyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide CAS Name: N-[[4-ethyl-5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide IUPAC Name: N-[[4-ethyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide Traditional Name: N-[[4-ethyl-5-[(4-keto-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide Formula: C21H19FN6O2S MolecularWeight: 438.477963

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC=CC=C4F

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H19FN6O2S/c1-2-28-18(11-23-19(29)13-7-3-5-9-15(13)22)26-27-21(28)31-12-17-24-16-10-6-4-8-14(16)20(30)25-17/h3-10H,2,11-12H2,1H3,(H,23,29)(H,24,25,30)