1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine ethanoate

Systemtic Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine ethanoate Openeye Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine acetate CAS Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine acetate IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine acetate Traditional Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine acetate Formula: C12H19N6O2S- MolecularWeight: 311.38326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=NC)NC#N.CC(=O)[O-]

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=NC)NC#N.CC(=O)[O-]

InChI

InChI=1S/C10H16N6S.C2H4O2/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;1-2(3)4/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1H3,(H,3,4)/p-1