3-nitro-N-propan-2-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)benzenesulfonamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)benzenesulfonamide CAS Name: 3-nitro-N-propan-2-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)benzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)benzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)benzenesulfonamide Formula: C14H14N6O4S2 MolecularWeight: 394.42876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN3C=CC=NC3=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN3C=CC=NC3=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O4S2/c1-9(2)18-26(23,24)10-4-5-12(11(8-10)20(21)22)25-14-16-13-15-6-3-7-19(13)17-14/h3-9,18H,1-2H3