2-[[5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C21H19FN6OS MolecularWeight: 422.478563

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)COC4=CC=CC=C4F

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)COC4=CC=CC=C4F

InChI

InChI=1S/C21H19FN6OS/c1-2-11-28-19(12-29-17-10-6-4-8-15(17)22)26-27-21(28)30-13-18-24-16-9-5-3-7-14(16)20(23)25-18/h2-10H,1,11-13H2,(H2,23,24,25)