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

Systemtic Name: 4-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide CAS Name: 4-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide Traditional Name: 4-[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzenesulfonamide Formula: C17H19N5O3S2 MolecularWeight: 405.49446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O3S2/c1-2-22-16(13-7-9-19-10-8-13)20-21-17(22)26-12-11-25-14-3-5-15(6-4-14)27(18,23)24/h3-10H,2,11-12H2,1H3,(H2,18,23,24)