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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O4S2/c1-5-6-13-16-14(18-17-13)25-12-8-7-10(9-11(12)20(21)22)26(23,24)19-15(2,3)4/h7-9,19H,5-6H2,1-4H3,(H,16,17,18)