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

Systemtic Name: 4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide CAS Name: 4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide Traditional Name: 4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzenesulfonamide Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O3S2/c1-2-22-17(14-6-4-3-5-7-14)20-21-18(22)26-13-12-25-15-8-10-16(11-9-15)27(19,23)24/h3-11H,2,12-13H2,1H3,(H2,19,23,24)