2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-ethyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide

Systemtic Name: 2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-ethyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide Openeye Name: 2-[[5-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-4-ethyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3,4-trifluorophenyl)acetamide CAS Name: 2-[[5-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-4-ethyl-1H-1,2,4-triazol-3-yl]thio]-N-(2,3,4-trifluorophenyl)acetamide IUPAC Name: 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-ethyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3,4-trifluorophenyl)acetamide Traditional Name: 2-[[5-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-4-ethyl-1H-1,2,4-triazol-3-yl]thio]-N-(2,3,4-trifluorophenyl)acetamide Formula: C18H14BrF3N4O2S MolecularWeight: 487.29357

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)NC3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

CCN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)NC3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C18H14BrF3N4O2S/c1-2-26-17(10-7-9(19)3-6-13(10)27)24-25-18(26)29-8-14(28)23-12-5-4-11(20)15(21)16(12)22/h3-7,24H,2,8H2,1H3,(H,23,28)