N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethyl]-3-nitro-benzenesulfonamide Formula: C11H13N5O4S2 MolecularWeight: 343.38202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O4S2/c1-15-8-12-14-11(15)21-6-5-13-22(19,20)10-4-2-3-9(7-10)16(17)18/h2-4,7-8,13H,5-6H2,1H3