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

Systemtic Name: 2-[(3-methylpyridin-2-yl)methylsulfanyl]ethyl N-cyano-N'-methyl-carbamimidothioate Openeye Name: 1-cyano-3-methyl-2-[2-[(3-methyl-2-pyridyl)methylsulfanyl]ethyl]isothiourea CAS Name: N-cyano-N'-methylcarbamimidothioic acid 2-[(3-methyl-2-pyridinyl)methylthio]ethyl ester IUPAC Name: 2-[(3-methylpyridin-2-yl)methylsulfanyl]ethyl N-cyano-N'-methylcarbamimidothioate Traditional Name: 1-cyano-3-methyl-2-[2-[(3-methyl-2-pyridyl)methylthio]ethyl]isothiourea Formula: C12H16N4S2 MolecularWeight: 280.41224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CSCCSC(=NC)NC#N

Isomeric SMILES

CC1=C(N=CC=C1)CSCCSC(=NC)NC#N

InChI

InChI=1S/C12H16N4S2/c1-10-4-3-5-15-11(10)8-17-6-7-18-12(14-2)16-9-13/h3-5H,6-8H2,1-2H3,(H,14,16)