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

Systemtic Name: 3-nitro-N-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide Openeye Name: 3-nitro-N-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide CAS Name: 3-nitro-N-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)benzenesulfonamide IUPAC Name: 3-nitro-N-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenesulfonamide Traditional Name: 3-nitro-N-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)benzenesulfonamide Formula: C18H13N5O4S2 MolecularWeight: 427.45692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C4N3C=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C4N3C=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O4S2/c24-23(25)15-12-14(29(26,27)21-13-6-2-1-3-7-13)9-10-16(15)28-18-20-19-17-8-4-5-11-22(17)18/h1-12,21H