N-[4-bromanyl-3-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-yl)propionamide Formula: C12H10BrF3N4O MolecularWeight: 363.13321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCN2C=NC=N2)C(F)(F)F)Br

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCN2C=NC=N2)C(F)(F)F)Br

InChI

InChI=1S/C12H10BrF3N4O/c13-10-2-1-8(5-9(10)12(14,15)16)19-11(21)3-4-20-7-17-6-18-20/h1-2,5-7H,3-4H2,(H,19,21)