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

Systemtic Name: 2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethyl N-cyano-N'-methyl-carbamimidothioate Openeye Name: 1-cyano-2-[2-[(3-methoxy-2-pyridyl)methylsulfanyl]ethyl]-3-methyl-isothiourea CAS Name: N-cyano-N'-methylcarbamimidothioic acid 2-[(3-methoxy-2-pyridinyl)methylthio]ethyl ester IUPAC Name: 2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethyl N-cyano-N'-methylcarbamimidothioate Traditional Name: 1-cyano-2-[2-[(3-methoxy-2-pyridyl)methylthio]ethyl]-3-methyl-isothiourea Formula: C12H16N4OS2 MolecularWeight: 296.41164

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)SCCSCC1=C(C=CC=N1)OC

Isomeric SMILES

CN=C(NC#N)SCCSCC1=C(C=CC=N1)OC

InChI

InChI=1S/C12H16N4OS2/c1-14-12(16-9-13)19-7-6-18-8-10-11(17-2)4-3-5-15-10/h3-5H,6-8H2,1-2H3,(H,14,16)