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

Systemtic Name: N-tert-butyl-3-nitro-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzenesulfonamide Openeye Name: N-tert-butyl-4-(1-isopropyltetrazol-5-yl)sulfanyl-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[(1-propan-2-yl-5-tetrazolyl)thio]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-(1-propan-2-yltetrazol-5-yl)sulfanylbenzenesulfonamide Traditional Name: N-tert-butyl-4-[(1-isopropyltetrazol-5-yl)thio]-3-nitro-benzenesulfonamide Formula: C14H20N6O4S2 MolecularWeight: 400.4764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N6O4S2/c1-9(2)19-13(15-17-18-19)25-12-7-6-10(8-11(12)20(21)22)26(23,24)16-14(3,4)5/h6-9,16H,1-5H3