2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide

Systemtic Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)acetamide CAS Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2,3,4-trifluorophenyl)acetamide IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(2,3,4-trifluorophenyl)acetamide Formula: C18H15F3N4OS MolecularWeight: 392.39811

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C(=C(C=C2)F)F)F)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C(=C(C=C2)F)F)F)CC3=CC=CC=C3

InChI

InChI=1S/C18H15F3N4OS/c1-25-14(9-11-5-3-2-4-6-11)23-24-18(25)27-10-15(26)22-13-8-7-12(19)16(20)17(13)21/h2-8H,9-10H2,1H3,(H,22,26)