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

Systemtic Name: methyl N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-N-sulfonyl-carbamimidothioate Openeye Name: 2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-sulfonyl-isothiourea CAS Name: N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-N-sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-N-sulfonylcarbamimidothioate Traditional Name: 2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-1-sulfonyl-isothiourea Formula: C9H14N4O2S3 MolecularWeight: 306.42806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCN=C(N=S(=O)=O)SC

Isomeric SMILES

CC1=C(N=CN1)CSCCN=C(N=S(=O)=O)SC

InChI

InChI=1S/C9H14N4O2S3/c1-7-8(12-6-11-7)5-17-4-3-10-9(16-2)13-18(14)15/h6H,3-5H2,1-2H3,(H,11,12)