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

Systemtic Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H15F2N5OS MolecularWeight: 447.459906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H15F2N5OS/c24-15-7-5-14(6-8-15)21-28-29-23(30(21)17-11-9-16(25)10-12-17)32-13-20-26-19-4-2-1-3-18(19)22(31)27-20/h1-12H,13H2,(H,26,27,31)