2-[[4-(furan-2-ylmethyl)-5-[[[3-(trifluoromethyl)phenyl]amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-[[[3-(trifluoromethyl)phenyl]amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(2-furanylmethyl)-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(2-furfuryl)-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H16F3N5O2S MolecularWeight: 411.40145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=NN=C(N2CC3=CC=CO3)SCC(=O)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=NN=C(N2CC3=CC=CO3)SCC(=O)N)C(F)(F)F

InChI

InChI=1S/C17H16F3N5O2S/c18-17(19,20)11-3-1-4-12(7-11)22-8-15-23-24-16(28-10-14(21)26)25(15)9-13-5-2-6-27-13/h1-7,22H,8-10H2,(H2,21,26)