N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzenesulfonamide CAS Name: N-[[5-[(4-tert-butylphenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzenesulfonamide Traditional Name: N-[[5-[(4-tert-butylbenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzenesulfonamide Formula: C21H25FN4O2S2 MolecularWeight: 448.577203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)CNS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)CNS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O2S2/c1-21(2,3)16-7-5-15(6-8-16)14-29-20-25-24-19(26(20)4)13-23-30(27,28)18-11-9-17(22)10-12-18/h5-12,23H,13-14H2,1-4H3