3,4-dimethyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,2,4-triazole

Systemtic Name: 3,4-dimethyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,2,4-triazole Openeye Name: 3,4-dimethyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,2,4-triazole CAS Name: 3,4-dimethyl-5-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,2,4-triazole IUPAC Name: 3,4-dimethyl-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,2,4-triazole Traditional Name: 3-[(4-mesyl-2-nitro-phenyl)thio]-4,5-dimethyl-1,2,4-triazole Formula: C11H12N4O4S2 MolecularWeight: 328.36738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O4S2/c1-7-12-13-11(14(7)2)20-10-5-4-8(21(3,18)19)6-9(10)15(16)17/h4-6H,1-3H3