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

Systemtic Name: 4-chloranyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]benzenesulfonamide Openeye Name: 4-chloro-N-[2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]benzenesulfonamide CAS Name: 4-chloro-N-[2-phenyl-2-(1H-1,2,4-triazol-5-ylthio)ethyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]benzenesulfonamide Traditional Name: 4-chloro-N-[2-phenyl-2-(1H-1,2,4-triazol-5-ylthio)ethyl]benzenesulfonamide Formula: C16H15ClN4O2S2 MolecularWeight: 394.8989

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)SC3=NC=NN3

Isomeric SMILES

C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)SC3=NC=NN3

InChI

InChI=1S/C16H15ClN4O2S2/c17-13-6-8-14(9-7-13)25(22,23)20-10-15(12-4-2-1-3-5-12)24-16-18-11-19-21-16/h1-9,11,15,20H,10H2,(H,18,19,21)