N-[[5-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[5-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[5-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[5-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[5-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[5-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C18H17BrFN5O3S MolecularWeight: 482.326683

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F)CNC(=O)C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F)CNC(=O)C3=CC=CO3

InChI

InChI=1S/C18H17BrFN5O3S/c1-2-25-15(9-21-17(27)14-4-3-7-28-14)23-24-18(25)29-10-16(26)22-13-6-5-11(19)8-12(13)20/h3-8H,2,9-10H2,1H3,(H,21,27)(H,22,26)