3-bromanyl-N-[3-[(2-methylphenyl)carbonylamino]phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

Systemtic Name: 3-bromanyl-N-[3-[(2-methylphenyl)carbonylamino]phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide Openeye Name: 3-bromo-N-[3-[(2-methylbenzoyl)amino]phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide CAS Name: 3-bromo-N-[3-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-6-(1,2,4-triazol-4-yl)-2-pyridinecarboxamide IUPAC Name: 3-bromo-N-[3-[(2-methylbenzoyl)amino]phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide Traditional Name: 3-bromo-N-[3-(o-toluoylamino)phenyl]-6-(1,2,4-triazol-4-yl)picolinamide Formula: C22H17BrN6O2 MolecularWeight: 477.31338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=O)C3=C(C=CC(=N3)N4C=NN=C4)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=O)C3=C(C=CC(=N3)N4C=NN=C4)Br

InChI

InChI=1S/C22H17BrN6O2/c1-14-5-2-3-8-17(14)21(30)26-15-6-4-7-16(11-15)27-22(31)20-18(23)9-10-19(28-20)29-12-24-25-13-29/h2-13H,1H3,(H,26,30)(H,27,31)