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

Systemtic Name: 3-[(1-ethyl-5-nitro-imidazol-2-yl)-sulfinyl-methyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(1-ethyl-5-nitro-imidazol-2-yl)-sulfinyl-methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(1-ethyl-5-nitro-2-imidazolyl)-sulfinylmethyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(1-ethyl-5-nitroimidazol-2-yl)-sulfinylmethyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(1-ethyl-5-nitro-imidazol-2-yl)-sulfinyl-methyl]-4-phenyl-1,2,4-triazole Formula: C14H12N6O3S MolecularWeight: 344.34848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1C(=S=O)C2=NN=CN2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=CN=C1C(=S=O)C2=NN=CN2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N6O3S/c1-2-18-11(20(21)22)8-15-13(18)12(24-23)14-17-16-9-19(14)10-6-4-3-5-7-10/h3-9H,2H2,1H3