5-bromanyl-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1,2,4-triazole

Systemtic Name: 5-bromanyl-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1,2,4-triazole Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-5-bromo-3-nitro-1,2,4-triazole CAS Name: 1-[2-(benzenesulfonyl)ethyl]-5-bromo-3-nitro-1,2,4-triazole IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-5-bromo-3-nitro-1,2,4-triazole Traditional Name: 1-(2-besylethyl)-5-bromo-3-nitro-1,2,4-triazole Formula: C10H9BrN4O4S MolecularWeight: 361.17186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCN2C(=NC(=N2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCN2C(=NC(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C10H9BrN4O4S/c11-9-12-10(15(16)17)13-14(9)6-7-20(18,19)8-4-2-1-3-5-8/h1-5H,6-7H2