2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(3-fluorophenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H19FN6O2S MolecularWeight: 438.477963

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC(=CC=C3)F)SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC(=CC=C3)F)SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C21H19FN6O2S/c22-14-4-3-5-15(12-14)28-20(27-8-10-30-11-9-27)25-26-21(28)31-13-18-23-17-7-2-1-6-16(17)19(29)24-18/h1-7,12H,8-11,13H2,(H,23,24,29)