2-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]ethyl]-1-methyl-1-nitro-guanidine

Systemtic Name: 2-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]ethyl]-1-methyl-1-nitro-guanidine Openeye Name: 2-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]ethyl]-1-methyl-1-nitro-guanidine CAS Name: 2-[2-[2-(1H-imidazol-5-yl)ethylthio]ethyl]-1-methyl-1-nitroguanidine IUPAC Name: 2-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]ethyl]-1-methyl-1-nitroguanidine Traditional Name: 2-[2-[2-(1H-imidazol-5-yl)ethylthio]ethyl]-1-methyl-1-nitro-guanidine Formula: C9H16N6O2S MolecularWeight: 272.32734

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=NCCSCCC1=CN=CN1)N)[N+](=O)[O-]

Isomeric SMILES

CN(C(=NCCSCCC1=CN=CN1)N)[N+](=O)[O-]

InChI

InChI=1S/C9H16N6O2S/c1-14(15(16)17)9(10)12-3-5-18-4-2-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H2,10,12)(H,11,13)