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

Systemtic Name: 3-[(1-methyl-5-nitro-imidazol-2-yl)-sulfinyl-methyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(1-methyl-5-nitro-imidazol-2-yl)-sulfinyl-methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(1-methyl-5-nitro-2-imidazolyl)-sulfinylmethyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(1-methyl-5-nitroimidazol-2-yl)-sulfinylmethyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(1-methyl-5-nitro-imidazol-2-yl)-sulfinyl-methyl]-4-phenyl-1,2,4-triazole Formula: C13H10N6O3S MolecularWeight: 330.3219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C(=S=O)C2=NN=CN2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C(=S=O)C2=NN=CN2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N6O3S/c1-17-10(19(20)21)7-14-12(17)11(23-22)13-16-15-8-18(13)9-5-3-2-4-6-9/h2-8H,1H3