1-[6-(3-cyanopropylsulfanyl)pyridin-2-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine

Systemtic Name: 1-[6-(3-cyanopropylsulfanyl)pyridin-2-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine Openeye Name: 1-[6-(3-cyanopropylsulfanyl)-2-pyridyl]-2-(2,2,2-trifluoroethyl)guanidine CAS Name: 1-[6-(3-cyanopropylthio)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)guanidine IUPAC Name: 1-[6-(3-cyanopropylsulfanyl)pyridin-2-yl]-2-(2,2,2-trifluoroethyl)guanidine Traditional Name: 1-[6-(3-cyanopropylthio)-2-pyridyl]-2-(2,2,2-trifluoroethyl)guanidine Formula: C12H14F3N5S MolecularWeight: 317.33327

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)SCCCC#N)NC(=NCC(F)(F)F)N

Isomeric SMILES

C1=CC(=NC(=C1)SCCCC#N)NC(=NCC(F)(F)F)N

InChI

InChI=1S/C12H14F3N5S/c13-12(14,15)8-18-11(17)20-9-4-3-5-10(19-9)21-7-2-1-6-16/h3-5H,1-2,7-8H2,(H3,17,18,19,20)