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

Systemtic Name: 2-[[5-[(2-fluorophenyl)methylsulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-allyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-[[(2-fluorophenyl)methylthio]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-[(2-fluorophenyl)methylsulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-allyl-5-[[(2-fluorobenzyl)thio]methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C22H20FN5OS2 MolecularWeight: 453.555503

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CSCC4=CC=CC=C4F

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CSCC4=CC=CC=C4F

InChI

InChI=1S/C22H20FN5OS2/c1-2-11-28-20(14-30-12-15-7-3-5-9-17(15)23)26-27-22(28)31-13-19-24-18-10-6-4-8-16(18)21(29)25-19/h2-10H,1,11-14H2,(H,24,25,29)