3-nitro-N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide Openeye Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylthio)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylthio)phenyl]-3-nitro-benzenesulfonamide Formula: C14H11N5O5S2 MolecularWeight: 393.39764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O5S2/c20-12-5-4-9(6-13(12)25-14-15-8-16-17-14)18-26(23,24)11-3-1-2-10(7-11)19(21)22/h1-8,18,20H,(H,15,16,17)