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

Systemtic Name: 4-chloranyl-N-[2-methyl-4-oxidanyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 4-chloro-N-[4-hydroxy-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide CAS Name: 4-chloro-N-[4-hydroxy-2-methyl-5-(1H-1,2,4-triazol-5-ylthio)phenyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[4-hydroxy-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 4-chloro-N-[4-hydroxy-2-methyl-5-(1H-1,2,4-triazol-5-ylthio)phenyl]benzenesulfonamide Formula: C15H13ClN4O3S2 MolecularWeight: 396.87172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(C=C2)Cl)SC3=NC=NN3)O

Isomeric SMILES

CC1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(C=C2)Cl)SC3=NC=NN3)O

InChI

InChI=1S/C15H13ClN4O3S2/c1-9-6-13(21)14(24-15-17-8-18-19-15)7-12(9)20-25(22,23)11-4-2-10(16)3-5-11/h2-8,20-21H,1H3,(H,17,18,19)