2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(5-benzofurazan-5-yl-4-methyl-1,2,4-triazol-3-yl)thio]-N-[4-(trifluoromethyl)phenyl]acetamide Formula: C18H13F3N6O2S MolecularWeight: 434.39503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(F)(F)F)C3=CC4=NON=C4C=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(F)(F)F)C3=CC4=NON=C4C=C3

InChI

InChI=1S/C18H13F3N6O2S/c1-27-16(10-2-7-13-14(8-10)26-29-25-13)23-24-17(27)30-9-15(28)22-12-5-3-11(4-6-12)18(19,20)21/h2-8H,9H2,1H3,(H,22,28)