N-tert-butyl-4-(3-cyano-1,2,4-triazol-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-(3-cyano-1,2,4-triazol-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-(3-cyano-1,2,4-triazol-1-yl)-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-(3-cyano-1,2,4-triazol-1-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-(3-cyano-1,2,4-triazol-1-yl)-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-(3-cyano-1,2,4-triazol-1-yl)-3-nitro-benzenesulfonamide Formula: C13H14N6O4S MolecularWeight: 350.35306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2C=NC(=N2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2C=NC(=N2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H14N6O4S/c1-13(2,3)17-24(22,23)9-4-5-10(11(6-9)19(20)21)18-8-15-12(7-14)16-18/h4-6,8,17H,1-3H3