3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C8H11N7O2S MolecularWeight: 269.28364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSC2=NNC(=N2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSC2=NNC(=N2)N)[N+](=O)[O-]

InChI

InChI=1S/C8H11N7O2S/c1-5-10-4-6(15(16)17)14(5)2-3-18-8-11-7(9)12-13-8/h4H,2-3H2,1H3,(H3,9,11,12,13)