4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide

Systemtic Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide CAS Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide Traditional Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzenesulfonamide Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H16N4O3S2/c17-25(21,22)14-8-6-13(7-9-14)23-10-11-24-16-18-15(19-20-16)12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,17,21,22)(H,18,19,20)