2-methyl-1-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethyl]-1-(phenylsulfonyl)guanidine

Systemtic Name: 2-methyl-1-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethyl]-1-(phenylsulfonyl)guanidine Openeye Name: 1-(benzenesulfonyl)-1-[2-[(3-hydroxy-2-pyridyl)methylsulfanyl]ethyl]-2-methyl-guanidine CAS Name: 1-(benzenesulfonyl)-1-[2-[(3-hydroxy-2-pyridinyl)methylthio]ethyl]-2-methylguanidine IUPAC Name: 1-(benzenesulfonyl)-1-[2-[(3-hydroxypyridin-2-yl)methylsulfanyl]ethyl]-2-methylguanidine Traditional Name: 1-besyl-1-[2-[(3-hydroxy-2-pyridyl)methylthio]ethyl]-2-methyl-guanidine Formula: C16H20N4O3S2 MolecularWeight: 380.485

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)N(CCSCC1=C(C=CC=N1)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN=C(N)N(CCSCC1=C(C=CC=N1)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N4O3S2/c1-18-16(17)20(25(22,23)13-6-3-2-4-7-13)10-11-24-12-14-15(21)8-5-9-19-14/h2-9,21H,10-12H2,1H3,(H2,17,18)