N-tert-butyl-3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Openeye Name: N-tert-butyl-4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Traditional Name: N-tert-butyl-4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-benzenesulfonamide Formula: C15H21N5O4S2 MolecularWeight: 399.48834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O4S2/c1-9(2)13-16-14(18-17-13)25-12-7-6-10(8-11(12)20(21)22)26(23,24)19-15(3,4)5/h6-9,19H,1-5H3,(H,16,17,18)