methyl N'-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethyl]-N-cyano-carbamimidothioate

Systemtic Name: methyl N'-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethyl]-N-cyano-carbamimidothioate Openeye Name: 3-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethyl]-1-cyano-2-methyl-isothiourea CAS Name: N'-[2-(1H-benzimidazol-2-ylmethylthio)ethyl]-N-cyanocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethyl]-N-cyanocarbamimidothioate Traditional Name: 3-[2-(1H-benzimidazol-2-ylmethylthio)ethyl]-1-cyano-2-methyl-isothiourea Formula: C13H15N5S2 MolecularWeight: 305.4217

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=NC2=CC=CC=C2N1)NC#N

Isomeric SMILES

CSC(=NCCSCC1=NC2=CC=CC=C2N1)NC#N

InChI

InChI=1S/C13H15N5S2/c1-19-13(16-9-14)15-6-7-20-8-12-17-10-4-2-3-5-11(10)18-12/h2-5H,6-8H2,1H3,(H,15,16)(H,17,18)