4-[(4-bromophenyl)-fluoranyl-(1H-1,2,4-triazol-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-bromophenyl)-fluoranyl-(1H-1,2,4-triazol-5-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-bromophenyl)-fluoro-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile CAS Name: 4-[(4-bromophenyl)-fluoro-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile IUPAC Name: 4-[(4-bromophenyl)-fluoro-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile Traditional Name: 4-[(4-bromophenyl)-fluoro-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile Formula: C16H10BrFN4 MolecularWeight: 357.179803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)Br)(C3=NC=NN3)F

Isomeric SMILES

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)Br)(C3=NC=NN3)F

InChI

InChI=1S/C16H10BrFN4/c17-14-7-5-13(6-8-14)16(18,15-20-10-21-22-15)12-3-1-11(9-19)2-4-12/h1-8,10H,(H,20,21,22)