methyl N-cyano-N'-[6-(dimethylaminomethyl)pyridin-3-yl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[6-(dimethylaminomethyl)pyridin-3-yl]carbamimidothioate Openeye Name: 1-cyano-3-[6-(dimethylaminomethyl)-3-pyridyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[6-(dimethylaminomethyl)-3-pyridinyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[6-(dimethylaminomethyl)pyridin-3-yl]carbamimidothioate Traditional Name: 1-cyano-3-[6-(dimethylaminomethyl)-3-pyridyl]-2-methyl-isothiourea Formula: C11H15N5S MolecularWeight: 249.3353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC=C(C=C1)N=C(NC#N)SC

Isomeric SMILES

CN(C)CC1=NC=C(C=C1)N=C(NC#N)SC

InChI

InChI=1S/C11H15N5S/c1-16(2)7-10-5-4-9(6-13-10)15-11(17-3)14-8-12/h4-6H,7H2,1-3H3,(H,14,15)