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

Systemtic Name: 2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-nitro-guanidine Openeye Name: 2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-nitro-guanidine CAS Name: 2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-3-nitroguanidine IUPAC Name: 2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-nitroguanidine Traditional Name: 2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-3-nitro-guanidine Formula: C9H16N6O2S MolecularWeight: 272.32734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=NC)N[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=NC)N[N+](=O)[O-]

InChI

InChI=1S/C9H16N6O2S/c1-7-8(13-6-12-7)5-18-4-3-11-9(10-2)14-15(16)17/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)