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

Systemtic Name: methyl N-cyano-N'-[2-[(3-ethoxypyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-[(3-ethoxy-2-pyridyl)methylsulfanyl]ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-[(3-ethoxy-2-pyridinyl)methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-[(3-ethoxypyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 1-cyano-3-[2-[(3-ethoxy-2-pyridyl)methylthio]ethyl]-2-methyl-isothiourea Formula: C13H18N4OS2 MolecularWeight: 310.43822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N=CC=C1)CSCCN=C(NC#N)SC

Isomeric SMILES

CCOC1=C(N=CC=C1)CSCCN=C(NC#N)SC

InChI

InChI=1S/C13H18N4OS2/c1-3-18-12-5-4-6-15-11(12)9-20-8-7-16-13(19-2)17-10-14/h4-6H,3,7-9H2,1-2H3,(H,16,17)