N-[1,1-bis(oxidanylidene)thian-4-yl]-3-methyl-5-nitro-imidazol-4-amine

Systemtic Name: N-[1,1-bis(oxidanylidene)thian-4-yl]-3-methyl-5-nitro-imidazol-4-amine Openeye Name: N-(1,1-dioxothian-4-yl)-3-methyl-5-nitro-imidazol-4-amine CAS Name: N-(1,1-dioxo-4-thianyl)-3-methyl-5-nitro-4-imidazolamine IUPAC Name: N-(1,1-dioxothian-4-yl)-3-methyl-5-nitroimidazol-4-amine Traditional Name: (1,1-diketothian-4-yl)-(3-methyl-5-nitro-imidazol-4-yl)amine Formula: C9H14N4O4S MolecularWeight: 274.29686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1NC2CCS(=O)(=O)CC2)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1NC2CCS(=O)(=O)CC2)[N+](=O)[O-]

InChI

InChI=1S/C9H14N4O4S/c1-12-6-10-8(13(14)15)9(12)11-7-2-4-18(16,17)5-3-7/h6-7,11H,2-5H2,1H3