1-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-1-cyano-2-prop-2-ynyl-guanidine

Systemtic Name: 1-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-1-cyano-2-prop-2-ynyl-guanidine Openeye Name: 1-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethyl]-1-cyano-2-prop-2-ynyl-guanidine CAS Name: 1-[2-[(3-bromo-2-pyridinyl)methylthio]ethyl]-1-cyano-2-prop-2-ynylguanidine IUPAC Name: 1-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethyl]-1-cyano-2-prop-2-ynylguanidine Traditional Name: 1-[2-[(3-bromo-2-pyridyl)methylthio]ethyl]-1-cyano-2-propargyl-guanidine Formula: C13H14BrN5S MolecularWeight: 352.25276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN=C(N)N(CCSCC1=C(C=CC=N1)Br)C#N

Isomeric SMILES

C#CCN=C(N)N(CCSCC1=C(C=CC=N1)Br)C#N

InChI

InChI=1S/C13H14BrN5S/c1-2-5-18-13(16)19(10-15)7-8-20-9-12-11(14)4-3-6-17-12/h1,3-4,6H,5,7-9H2,(H2,16,18)