N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

Systemtic Name: N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine Openeye Name: N-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine CAS Name: N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-4-quinazolinamine IUPAC Name: N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine Traditional Name: [5-(2-thienyl)-1H-1,2,4-triazol-3-yl]-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amine Formula: C21H13F3N6S MolecularWeight: 438.42833

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=NNC(=N4)C5=CC=CS5)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=NNC(=N4)C5=CC=CS5)C(F)(F)F

InChI

InChI=1S/C21H13F3N6S/c22-21(23,24)14-8-3-1-6-12(14)17-25-15-9-4-2-7-13(15)18(26-17)27-20-28-19(29-30-20)16-10-5-11-31-16/h1-11H,(H2,25,26,27,28,29,30)