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

Systemtic Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C20H16FN5OS MolecularWeight: 393.437343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5F

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5F

InChI

InChI=1S/C20H16FN5OS/c21-15-7-3-1-5-13(15)18-24-25-20(26(18)12-9-10-12)28-11-17-22-16-8-4-2-6-14(16)19(27)23-17/h1-8,12H,9-11H2,(H,22,23,27)