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

Systemtic Name: methyl N-cyano-N'-[2-(5-methyl-4-methylsulfanyl-1H-imidazol-2-yl)ethyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[2-(5-methyl-4-methylsulfanyl-1H-imidazol-2-yl)ethyl]isothiourea CAS Name: N-cyano-N'-[2-[5-methyl-4-(methylthio)-1H-imidazol-2-yl]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-(5-methyl-4-methylsulfanyl-1H-imidazol-2-yl)ethyl]carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-[2-[5-methyl-4-(methylthio)-1H-imidazol-2-yl]ethyl]isothiourea Formula: C10H15N5S2 MolecularWeight: 269.3896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)CCN=C(NC#N)SC)SC

Isomeric SMILES

CC1=C(N=C(N1)CCN=C(NC#N)SC)SC

InChI

InChI=1S/C10H15N5S2/c1-7-9(16-2)15-8(14-7)4-5-12-10(17-3)13-6-11/h4-5H2,1-3H3,(H,12,13)(H,14,15)