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

Systemtic Name: N-tert-butyl-4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-benzenesulfonamide Formula: C14H19N5O4S2 MolecularWeight: 385.46176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O4S2/c1-5-12-15-13(17-16-12)24-11-7-6-9(8-10(11)19(20)21)25(22,23)18-14(2,3)4/h6-8,18H,5H2,1-4H3,(H,15,16,17)