6-phenyl-2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 6-phenyl-2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine Openeye Name: 6-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine CAS Name: 6-phenyl-2-(3,4,4-trifluorobut-3-enylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine IUPAC Name: 6-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine Traditional Name: [6-phenyl-2-(3,4,4-trifluorobut-3-enylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amine Formula: C15H12F3N5S MolecularWeight: 351.34949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N3C(=NC(=N3)SCCC(=C(F)F)F)N=C2)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N3C(=NC(=N3)SCCC(=C(F)F)F)N=C2)N

InChI

InChI=1S/C15H12F3N5S/c16-11(12(17)18)6-7-24-15-21-14-20-8-10(13(19)23(14)22-15)9-4-2-1-3-5-9/h1-5,8H,6-7,19H2