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

Systemtic Name: N-(2,5-dimethylphenyl)-2-[[5-[[(4-fluorophenyl)amino]methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[5-[(4-fluoroanilino)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide Traditional Name: 2-[[4-benzyl-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-(2,5-dimethylphenyl)acetamide Formula: C26H26FN5OS MolecularWeight: 475.580943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CNC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CNC4=CC=C(C=C4)F

InChI

InChI=1S/C26H26FN5OS/c1-18-8-9-19(2)23(14-18)29-25(33)17-34-26-31-30-24(15-28-22-12-10-21(27)11-13-22)32(26)16-20-6-4-3-5-7-20/h3-14,28H,15-17H2,1-2H3,(H,29,33)