2-methyl-1-[2-[(5-oxidanylpyridin-2-yl)methylsulfanyl]ethyl]-1-(phenylsulfonyl)guanidine

Systemtic Name: 2-methyl-1-[2-[(5-oxidanylpyridin-2-yl)methylsulfanyl]ethyl]-1-(phenylsulfonyl)guanidine Openeye Name: 1-(benzenesulfonyl)-1-[2-[(5-hydroxy-2-pyridyl)methylsulfanyl]ethyl]-2-methyl-guanidine CAS Name: 1-(benzenesulfonyl)-1-[2-[(5-hydroxy-2-pyridinyl)methylthio]ethyl]-2-methylguanidine IUPAC Name: 1-(benzenesulfonyl)-1-[2-[(5-hydroxypyridin-2-yl)methylsulfanyl]ethyl]-2-methylguanidine Traditional Name: 1-besyl-1-[2-[(5-hydroxy-2-pyridyl)methylthio]ethyl]-2-methyl-guanidine Formula: C16H20N4O3S2 MolecularWeight: 380.485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)N(CCSCC1=NC=C(C=C1)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN=C(N)N(CCSCC1=NC=C(C=C1)O)S(=O)(=O)C2=CC=CC=C2

InChI

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