1-[1-(4-cyanobutan-2-yl)pyrazol-3-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine

Systemtic Name: 1-[1-(4-cyanobutan-2-yl)pyrazol-3-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine Openeye Name: 1-[1-(3-cyano-1-methyl-propyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine CAS Name: 1-[1-(4-cyanobutan-2-yl)-3-pyrazolyl]-2-(2,2,2-trifluoroethyl)guanidine IUPAC Name: 1-[1-(4-cyanobutan-2-yl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine Traditional Name: 1-[1-(3-cyano-1-methyl-propyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine Formula: C11H15F3N6 MolecularWeight: 288.27221

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC#N)N1C=CC(=N1)NC(=NCC(F)(F)F)N

Isomeric SMILES

CC(CCC#N)N1C=CC(=N1)NC(=NCC(F)(F)F)N

InChI

InChI=1S/C11H15F3N6/c1-8(3-2-5-15)20-6-4-9(19-20)18-10(16)17-7-11(12,13)14/h4,6,8H,2-3,7H2,1H3,(H3,16,17,18,19)