methyl N-cyano-N'-[2-[(4-methoxypyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-[(4-methoxypyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-[(4-methoxy-2-pyridyl)methylsulfanyl]ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-[(4-methoxy-2-pyridinyl)methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-[(4-methoxypyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 1-cyano-3-[2-[(4-methoxy-2-pyridyl)methylthio]ethyl]-2-methyl-isothiourea Formula: C12H16N4OS2 MolecularWeight: 296.41164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC=C1)CSCCN=C(NC#N)SC

Isomeric SMILES

COC1=CC(=NC=C1)CSCCN=C(NC#N)SC

InChI

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