N-[(1S)-1-(4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[(1S)-1-(4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[(1S)-1-(5-allylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[(1S)-1-[4-ethyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-2-phenylethyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[(1S)-1-(4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenylethyl]-4-fluorobenzenesulfonamide Traditional Name: N-[(1S)-1-[5-(allylthio)-4-ethyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-4-fluoro-benzenesulfonamide Formula: C21H23FN4O2S2 MolecularWeight: 446.561323

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC=C)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN1C(=NN=C1SCC=C)[C@H](CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN4O2S2/c1-3-14-29-21-24-23-20(26(21)4-2)19(15-16-8-6-5-7-9-16)25-30(27,28)18-12-10-17(22)11-13-18/h3,5-13,19,25H,1,4,14-15H2,2H3/t19-/m0/s1