methyl N-cyano-N'-[2-[[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methylsulfanyl]ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-[[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-[[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methylsulfanyl]ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-[[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-[[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-[2-[(5-methyl-2-methylol-1H-imidazol-4-yl)methylthio]ethyl]isothiourea Formula: C11H17N5OS2 MolecularWeight: 299.41558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)CO)CSCCN=C(NC#N)SC

Isomeric SMILES

CC1=C(N=C(N1)CO)CSCCN=C(NC#N)SC

InChI

InChI=1S/C11H17N5OS2/c1-8-9(16-10(5-17)15-8)6-19-4-3-13-11(18-2)14-7-12/h17H,3-6H2,1-2H3,(H,13,14)(H,15,16)