5-[(1-ethyl-5-nitro-imidazol-2-yl)-sulfinyl-methyl]-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-[(1-ethyl-5-nitro-imidazol-2-yl)-sulfinyl-methyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[(1-ethyl-5-nitro-imidazol-2-yl)-sulfinyl-methyl]-1-phenyl-tetrazole CAS Name: 5-[(1-ethyl-5-nitro-2-imidazolyl)-sulfinylmethyl]-1-phenyltetrazole IUPAC Name: 5-[(1-ethyl-5-nitroimidazol-2-yl)-sulfinylmethyl]-1-phenyltetrazole Traditional Name: 5-[(1-ethyl-5-nitro-imidazol-2-yl)-sulfinyl-methyl]-1-phenyl-tetrazole Formula: C13H11N7O3S MolecularWeight: 345.33654

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1C(=S=O)C2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=CN=C1C(=S=O)C2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N7O3S/c1-2-18-10(20(21)22)8-14-12(18)11(24-23)13-15-16-17-19(13)9-6-4-3-5-7-9/h3-8H,2H2,1H3