1-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl]-1-methylsulfonyl-2-prop-2-ynyl-guanidine

Systemtic Name: 1-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl]-1-methylsulfonyl-2-prop-2-ynyl-guanidine Openeye Name: 1-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethyl]-1-methylsulfonyl-2-prop-2-ynyl-guanidine CAS Name: 1-[2-[(3-chloro-2-pyridinyl)methylthio]ethyl]-1-methylsulfonyl-2-prop-2-ynylguanidine IUPAC Name: 1-[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethyl]-1-methylsulfonyl-2-prop-2-ynylguanidine Traditional Name: 1-[2-[(3-chloro-2-pyridyl)methylthio]ethyl]-1-mesyl-2-propargyl-guanidine Formula: C13H17ClN4O2S2 MolecularWeight: 360.88268

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCSCC1=C(C=CC=N1)Cl)C(=NCC#C)N

Isomeric SMILES

CS(=O)(=O)N(CCSCC1=C(C=CC=N1)Cl)C(=NCC#C)N

InChI

InChI=1S/C13H17ClN4O2S2/c1-3-6-17-13(15)18(22(2,19)20)8-9-21-10-12-11(14)5-4-7-16-12/h1,4-5,7H,6,8-10H2,2H3,(H2,15,17)