methyl N'-methyl-N-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate

Systemtic Name: methyl N'-methyl-N-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 1-[2-[(3-hydroxy-2-pyridyl)methylsulfanyl]ethyl]-2,3-dimethyl-isothiourea CAS Name: N-[2-[(3-hydroxy-2-pyridinyl)methylthio]ethyl]-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[2-[(3-hydroxypyridin-2-yl)methylsulfanyl]ethyl]-N'-methylcarbamimidothioate Traditional Name: 1-[2-[(3-hydroxy-2-pyridyl)methylthio]ethyl]-2,3-dimethyl-isothiourea Formula: C11H17N3OS2 MolecularWeight: 271.40218

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCCSCC1=C(C=CC=N1)O)SC

Isomeric SMILES

CN=C(NCCSCC1=C(C=CC=N1)O)SC

InChI

InChI=1S/C11H17N3OS2/c1-12-11(16-2)14-6-7-17-8-9-10(15)4-3-5-13-9/h3-5,15H,6-8H2,1-2H3,(H,12,14)