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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O4S2/c1-3-10-12-11(14-13-10)20-9-5-4-7(21(2,18)19)6-8(9)15(16)17/h4-6H,3H2,1-2H3,(H,12,13,14)