1-ethyl-2-(imidazol-1-ylsulfanylmethyl)-5-nitro-imidazole

Systemtic Name: 1-ethyl-2-(imidazol-1-ylsulfanylmethyl)-5-nitro-imidazole Openeye Name: 1-ethyl-2-(imidazol-1-ylsulfanylmethyl)-5-nitro-imidazole CAS Name: 1-ethyl-2-[(1-imidazolylthio)methyl]-5-nitroimidazole IUPAC Name: 1-ethyl-2-(imidazol-1-ylsulfanylmethyl)-5-nitroimidazole Traditional Name: 1-ethyl-2-[(imidazol-1-ylthio)methyl]-5-nitro-imidazole Formula: C9H11N5O2S MolecularWeight: 253.28094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1CSN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=CN=C1CSN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H11N5O2S/c1-2-13-8(11-5-9(13)14(15)16)6-17-12-4-3-10-7-12/h3-5,7H,2,6H2,1H3