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

Systemtic Name: 4-methyl-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]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylthio)phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylthio)phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C15H13N5O5S2 MolecularWeight: 407.42422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O5S2/c1-9-2-4-11(7-12(9)20(22)23)27(24,25)19-10-3-5-13(21)14(6-10)26-15-16-8-17-18-15/h2-8,19,21H,1H3,(H,16,17,18)