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

Systemtic Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C13H11F3N6S MolecularWeight: 340.32685

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)C(F)(F)F

InChI

InChI=1S/C13H11F3N6S/c1-22-11(13(14,15)16)20-21-12(22)23-6-9-18-8-5-3-2-4-7(8)10(17)19-9/h2-5H,6H2,1H3,(H2,17,18,19)