N-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoranyl-benzenesulfonamide Openeye Name: 4-fluoro-N-[(4-methyl-5-sec-butylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide CAS Name: N-[[5-(butan-2-ylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide Traditional Name: 4-fluoro-N-[[4-methyl-5-(sec-butylthio)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Formula: C14H19FN4O2S2 MolecularWeight: 358.454663

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1C)CNS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(C)SC1=NN=C(N1C)CNS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H19FN4O2S2/c1-4-10(2)22-14-18-17-13(19(14)3)9-16-23(20,21)12-7-5-11(15)6-8-12/h5-8,10,16H,4,9H2,1-3H3