2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-fluorophenyl)methylideneamino]ethanamide

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-fluorophenyl)methylideneamino]ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-fluorophenyl)methyleneamino]acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(E)-(4-fluorobenzylidene)amino]acetamide Formula: C22H16BrFN6OS MolecularWeight: 511.369443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4)F

Isomeric SMILES

C1=CC(=CC=C1/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4)F

InChI

InChI=1S/C22H16BrFN6OS/c23-17-3-7-19(8-4-17)30-21(16-9-11-25-12-10-16)28-29-22(30)32-14-20(31)27-26-13-15-1-5-18(24)6-2-15/h1-13H,14H2,(H,27,31)/b26-13+