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

Systemtic Name: 3-nitro-N-propan-2-yl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide CAS Name: 3-nitro-N-propan-2-yl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)benzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)benzenesulfonamide Formula: C15H15N5O4S2 MolecularWeight: 393.4407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O4S2/c1-10(2)18-26(23,24)11-6-7-13(12(9-11)20(21)22)25-15-17-16-14-5-3-4-8-19(14)15/h3-10,18H,1-2H3