N-(2,6-diethylphenyl)-2-[[5-[[(4-fluorophenyl)amino]methyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[[5-[[(4-fluorophenyl)amino]methyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[[5-[(4-fluoroanilino)methyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[[5-[(4-fluoroanilino)methyl]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[[5-[(4-fluoroanilino)methyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[[5-[(4-fluoroanilino)methyl]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H32FN5O2S MolecularWeight: 497.627983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2CC3CCCO3)CNC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2CC3CCCO3)CNC4=CC=C(C=C4)F

InChI

InChI=1S/C26H32FN5O2S/c1-3-18-7-5-8-19(4-2)25(18)29-24(33)17-35-26-31-30-23(32(26)16-22-9-6-14-34-22)15-28-21-12-10-20(27)11-13-21/h5,7-8,10-13,22,28H,3-4,6,9,14-17H2,1-2H3,(H,29,33)