N-tert-butyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)benzenesulfonamide Formula: C16H17N5O4S2 MolecularWeight: 407.46728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C3N2C=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C3N2C=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O4S2/c1-16(2,3)19-27(24,25)11-7-8-13(12(10-11)21(22)23)26-15-18-17-14-6-4-5-9-20(14)15/h4-10,19H,1-3H3