(E)-N1-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-2-methylsulfonyl-N1'-prop-2-ynyl-ethene-1,1-diamine

Systemtic Name: (E)-N1-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-2-methylsulfonyl-N1'-prop-2-ynyl-ethene-1,1-diamine Openeye Name: (E)-N1-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethyl]-2-methylsulfonyl-N1'-prop-2-ynyl-ethene-1,1-diamine CAS Name: (E)-N1-[2-[(3-bromo-2-pyridinyl)methylthio]ethyl]-2-methylsulfonyl-N1'-prop-2-ynylethene-1,1-diamine IUPAC Name: (E)-1-N-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethyl]-2-methylsulfonyl-1-N'-prop-2-ynylethene-1,1-diamine Traditional Name: 2-[(3-bromo-2-pyridyl)methylthio]ethyl-[(E)-2-mesyl-1-(propargylamino)vinyl]amine Formula: C14H18BrN3O2S2 MolecularWeight: 404.34562

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C=C(NCCSCC1=C(C=CC=N1)Br)NCC#C

Isomeric SMILES

CS(=O)(=O)/C=C(/NCCSCC1=C(C=CC=N1)Br)\NCC#C

InChI

InChI=1S/C14H18BrN3O2S2/c1-3-6-17-14(11-22(2,19)20)18-8-9-21-10-13-12(15)5-4-7-16-13/h1,4-5,7,11,17-18H,6,8-10H2,2H3/b14-11+