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

Systemtic Name: N-tert-butyl-4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-benzenesulfonamide Formula: C15H19N5O4S2 MolecularWeight: 397.47246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O4S2/c1-15(2,3)19-26(23,24)10-6-7-12(11(8-10)20(21)22)25-14-16-13(17-18-14)9-4-5-9/h6-9,19H,4-5H2,1-3H3,(H,16,17,18)