4-methyl-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,2,4-triazole Openeye Name: 4-methyl-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,2,4-triazole CAS Name: 4-methyl-3-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,2,4-triazole Traditional Name: 3-[(4-mesyl-2-nitro-phenyl)thio]-4-methyl-1,2,4-triazole Formula: C10H10N4O4S2 MolecularWeight: 314.3408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O4S2/c1-13-6-11-12-10(13)19-9-4-3-7(20(2,17)18)5-8(9)14(15)16/h3-6H,1-2H3