N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: 3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl-[2-(trifluoromethyl)quinazolin-4-yl]amine Formula: C20H23F3N6S MolecularWeight: 436.49703

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C20H23F3N6S/c1-30-19-28-27-16(29(19)13-7-2-3-8-13)11-6-12-24-17-14-9-4-5-10-15(14)25-18(26-17)20(21,22)23/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,24,25,26)