N-(2,5-dimethoxyphenyl)-2-[[5-[[(4-fluorophenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[[5-[[(4-fluorophenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H22FN5O3S MolecularWeight: 431.483783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)OC)OC)CNC3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)OC)OC)CNC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN5O3S/c1-26-18(11-22-14-6-4-13(21)5-7-14)24-25-20(26)30-12-19(27)23-16-10-15(28-2)8-9-17(16)29-3/h4-10,22H,11-12H2,1-3H3,(H,23,27)