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

Systemtic Name: methyl N-cyano-N'-[2-[2-(5-methyl-1H-imidazol-4-yl)-2-oxidanylidene-ethyl]sulfanylethyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[2-[2-(5-methyl-1H-imidazol-4-yl)-2-oxo-ethyl]sulfanylethyl]isothiourea CAS Name: N-cyano-N'-[2-[[2-(5-methyl-1H-imidazol-4-yl)-2-oxoethyl]thio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-[2-(5-methyl-1H-imidazol-4-yl)-2-oxoethyl]sulfanylethyl]carbamimidothioate Traditional Name: 1-cyano-3-[2-[[2-keto-2-(5-methyl-1H-imidazol-4-yl)ethyl]thio]ethyl]-2-methyl-isothiourea Formula: C11H15N5OS2 MolecularWeight: 297.3997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)C(=O)CSCCN=C(NC#N)SC

Isomeric SMILES

CC1=C(N=CN1)C(=O)CSCCN=C(NC#N)SC

InChI

InChI=1S/C11H15N5OS2/c1-8-10(16-7-15-8)9(17)5-19-4-3-13-11(18-2)14-6-12/h7H,3-5H2,1-2H3,(H,13,14)(H,15,16)