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

Systemtic Name: methyl N'-[1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 2-methyl-3-[1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]isothiourea CAS Name: N'-[1-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 2-methyl-3-[1-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]isothiourea Formula: C9H16N4S2 MolecularWeight: 244.38014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSC(C)N=C(N)SC

Isomeric SMILES

CC1=C(N=CN1)CSC(C)/N=C(/N)\SC

InChI

InChI=1S/C9H16N4S2/c1-6-8(12-5-11-6)4-15-7(2)13-9(10)14-3/h5,7H,4H2,1-3H3,(H2,10,13)(H,11,12)