N-[[5-[2-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[5-[2-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[5-[2-(2-bromo-4,6-difluoro-anilino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-[[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[5-[[2-(2-bromo-4,6-difluoro-anilino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C21H20BrF2N5O3S MolecularWeight: 540.381006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Br)F)F)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Br)F)F)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20BrF2N5O3S/c1-3-29-17(10-25-20(31)12-4-6-14(32-2)7-5-12)27-28-21(29)33-11-18(30)26-19-15(22)8-13(23)9-16(19)24/h4-9H,3,10-11H2,1-2H3,(H,25,31)(H,26,30)